5 - 0 5"vi
% .
tJCRL-51137
THERMODYNAMICS OF THE GASEOUS HYDROXIDES
&
Donaldxp. Jackson,
D K t m i x r 8, 1871
^t
rY^iM^ farU&M»ifc£w^iyCuiiij*i^i>iiier contract NaW-7*06^ng-48
w
- \
J.
LAWFENCE
LiVERMORE
-.A
^
,-to
^
.&-_
v •- i*
_"3-^ r
TID-4500, UC-4
Chemistry
LAWRB^CE UVERfS/JQftE LABORATORY
UCRL-51137
THERMODYNAMICS OF THE GASEOUS HYDROXIDES
Donald D. Jackson
—NOTICETOi ii|ii*l m f n w w l as aa acuttftt of m f c
apomona b j tat Uikcd Stain Gaiaasmt. NtHfctr
e u Vaiad Sous n o tba UslMd Stria) Asomk Earru
C n w M i i i . aor o r of Uuir rnpiojiw, oar m of
tfctir cotrirtorr, rnhnitraclcri, or tfesir raployaas,
•ado* <•? wsnaaty. c q m or i a p l i i , or m a a i»y
Icpl arbMty or mi»mllilHj for li» Meaner, caatp M t a o i or a n M n a ] of aajr iaTanastioa, nnaulm,
pFodact or praona cakioas0' or ifpnaratt fast Ms nap
avakf oof iaftiaaB priiafaty canard riantr.
1
v
wsisiBimoH OF THIS OOGUKST IS umacna
n
Contents
Abstract
j
Introduction
1
Calculational P r o c e d u r e s
Discussion
References
Appendix A: Tables of Thermodynamic Data.
Table 1
2
6
8
12
12
Table 2
13
Table 3
14
Table 4
Table 5
Table 6
63
106
107
Table
Table
Table
Table
Table
.
7
8
9
10
11
Appendix B: Plots of Bond Energies and Equilibrium Constants
Figure 1
Figure 2
Figure 3
,
Figure 4
Figure 5
Figure 6
Figure 7
Figure 8
Figure 9
Figure 10
Figure 11
Figure 12
108
114
119
124
129
.
.
.
.
.133
133
133
134
. 134
135
135
136
1 3 6
137
137
138
1 8
3
THERMODYNAMICS OF THE GASEOUS HYDROXIDES
nuDudtb
Both the bond energies and the free
energies of formation of the unknown gas­
eous mono- and dihydroxides have been
estimated. By using such experimental
hydroxide bond energies as are available
in the literature, we developed a correla­
tion scheme for estimating the bond ener­
gies of the unknown hydroxides by analogy
with the bond energies of the correspond­
ing mono- and dihalides, which are much
better known. Estimated molecular con­
stants were used to compute the thermo­
dynamic functions of the unknown hydrox­
ides between 298 and 3000"K. Then the
thermodynamic functions were used to
calculate the free energies of formation
of the unknown hydroxides. Next, the
free energies of formation were used to
calculate the partial pressures of the
unknown hydroxides in equilibrium with
their condensed-oxide or -element phases.
(These calculations were based on 1 atm
each of oxygen and water and were done
at intervals of 500°K between 500 and
2500°K.) The resulting volatilities are
useful in predicting whether the unknown
mono- and dihydroxides are likely to be
important in reactions between the cor­
responding condensed oxides and water
vapor. A tabulation of bo'h the known
and the estimated thermodynamic prop­
erties of the gaseous mono- and dihy­
droxides is included at the end of this
report.
Introduction
If peaceful nuclear explosions are to
be used effectively, it is essential for us
to understand and accurately predict the
significant chemical reactions that occur
in such explosions. Most of these r e a c ­
tions involve wj.ter and oxygen, and
knowledge of them is necessary before
we can improve our understanding of how
the elements are distributed between
their vapor and condensed phases and
how this distribution is affected by tem­
perature and pressure.
Earth materials exist mainly as oxides
and are usually associated both chemi-l
cally and physically with considerable
amounts of water. When water vapor is
present at high temperatures, many ele­
ments form stable gaseoun hydroxides.
Since such reactions may have a-profound
effect on the disposition t£ the fission
products and emplacement materials
around a nuclear explosive, it is impor­
tant to have a means of evaluating them.
Equilibrium t h e r m o d y n a m i c s is
useful for predicting the reactions of
earth m a t e r i a l s even under the
extreme conditions that exist in nuclear
explosions.
In order to improve our understanding
of and our ability to predict the chemical
reactions that occur in the presence of
water, it would be desirable to have a
tabulation of the thermodynamic p r o p e r ­
ties of the g a s e o u s mono- and dihydroxides at high temperatures. No such
tabulation e x i s t s , although there i s a
considerable and growing literature on
the subject. (Many of the reported
studies a r e d i s c u s s e d by Elliott and by
Glemser and Wendlandt. ) Thus, the
purpose of our work was 1) to collect
from the recent literature certain t h e r ­
modynamic data on the known gaseous
mono- and dihydroxides, 2) to estimate
similar data for the unknown gaseous
mono- and dihydroxides, and 3) to u s e
the resulting body of information to c a l ­
culate the volatilities of the correspond­
ing condensed oxides In the presence of
water vapor.
For still other hydroxides, thermody­
namic data have been obtained, but they
are either inaccurate or they cover a
limited range of temperatures. We felt
that the thermodynamic properties of the
unknown gaseous mono- and dihydroxides
could be estimated with enough accuracy
to indicate which of the hydroxides are
stable enough to be significant and which
are likely to be experimentally observable
with present instruments and techniques.
Several authors have suggested that in
many ways the gaseous mono- and dihy­
droxides can be regarded as analogous to
the gaseous m o n o - and dihalides, whose
3-5
properties a r e much better known.
Although the M-OH bond energy is not
expected to be the s a m e as the M-X bond
energy, it i s thought that the bond energies
of corresponding hydroxides and halides
can be correlated. A schema similar to
this has been u s e d by O'Brien et al.
It should be noted that by themselves
the mono- and dihydroxides may not be
adequate for explaining or predicting the
volatilities of many materials. A number
of materials are known in which either
other hydroxides o r oxyhydroxides p r e ­
dominate,
It i s likely that there are many hy­
droxides that have not been observed
experimentally, whether for lack of
experimental work or because of low
concentrations. Other hydroxides are
known to exist, but quantitative t h e r m o ­
dynamic data have not been obtained.
Calculational Procedures
The method w e used to estimate the
thermodynamic properties of the unknown
gaseous m o n o - and dihydroxides c o n ­
sisted of the following s t e p s . F i r s t , w e
estimated the M-OH bond energies at
298°K i n the reactions
MOHfe) * M(g) + OH(g)
M(OH) (g) - M(g) + 20H(g).
2
(2)
Both the estimated and tiie known bond
energies are l i s t e d in Tables 1 and 2 and
are plotted in F i g s . 1 and 2."
"The tables referred to in this report
are contained in Appendix A, which starts
on p. 12, and the figures are contained in
Appendix B, which starts on p. 133,
(1)
and
2-
Tables 1 and 2 a l s o list the bond e n e r ­
gies of the gaseous mono- and dihalides
for comparison with the bond energies of
the corresponding hydroxides. The
halide bond e n e r g i e s were collected from
7
many s o u r c e s , particularly JANAF,
Hildenbrind, F e b e r . and Kent e t a L The
resulting compilation was not complete,
so many of the halide values in Tables 1
and 2 are also e s t i m a t e s .
In addition, the experimental data on
the gaseous hydroxides of the heavy e l e ­
ments turned out to be especially scanty.
Thus, the bond e n e r g i e s of these hydrosides were generally assumed to be ap­
proximately equal to the bond energies of
the corresponding chlorides. In e s t i m a t ­
ing the trend with position in the periodic
table, we found the fluoride data to be the
most valuable, partly because these data
are more abundant than the data on the
other halides.
8
9
+
f,T,MOH(g)
+
AG
_
A G
G
TA
- H
298\
functions for OH(g) w e r e taken from the
7
JANAF tabulation. The free energies of
form- Hon and f r e e - e n e r g y functions for
M(g) were either taken from standard
sources or estimated by extrapolation
and interpolation.
Free energies of formation have not
been measured for many of the gaseous
actinides. However, by comparing the
free energies of formation of the actinide
and lanthanide p a i r s thorium-cerium,
uranium-neodymium, and plutoniumsamarium as a function of temperature,
we observed that the difference in the
free energies of formation did not differ
greatly from one pair to the next and that
the average difference decreased regu­
larly between 298 and 3000-K. Thus, the
average difference was used to estimate
the free energies of formation of the
actinides through americium and of the
lanthanide prometbium. The actinides
having atomic numbers of 97 through 104
were estimated to i a v e free energies of
formation equal to those of the c o r r e ­
sponding lanthanides and hafnium. All of
the elements through atomic number 104
were included in the calculations except
for the inert g a s e s and, in the c a s e of the
dihydroxide3, the alkali metals and
halides.
(3)
and
G
* f,T,M{OH) (g) "
2
AG
(4)
energies of formation are listed in
Tables 3 and 4. The thermodynamic
298,(1)
/ T
298.(2)
Both the estimated and the known free
f.T.M(g)
A H
A H
G
1 0
f,T,OH(g) "
f,T,OH(g) "
- TA ( ?-^9S\
The next step i n estimating the free
energies of formation of the unknown
gaseous mono- and dihydroxidea was to
derive f r e e - e n e r g y functions between 298
and 3000°K. Since the thermodynamic
functions of the g a s e o u s elements are
fairly well known, it was possible to c a l ­
culate the free e n e r g i e s of formation by
means of the e x p r e s s i o n s
A G
2 A G
The method w e u s e d to estimate the
remaining thermodynamic properties oi
the unknown g a s e o u s mono- and dihydrox-
f,T,M(g)
-3-
ides were assumed to be on opposite
sides of the O-M-O plane and at 60-deg
angles to the O-H plane. From these
assumptions, either the moment of iner­
tia or the product of the moments was
calculated for each hydroxide.
This
allowed the rotational contribution to be
readily calculated.
ides consisted of estimating molecular
constants for a rigid-rotator, harmonicoscillator model and calculating the
translational, rotational, vibrational, and
electronic contributions (see Tables 3
and 4). Most of the estimated constants
are actually v a l u e s that have been m e a s ­
ured for the corresponding fluorides.
Few such m e a s u r e m e n t s have been made
for the hydroxides.
The translational contributions w e r e ,
as usual, calculated with the SackurTetrode equation.
For the rotational contributions, we
assumed that the O-H internuclear d i s o
tances were 0.96 A (as they are in HOH)
and that the M-O internuclear distances
were the s a m e as the M - F internuclear
distances in the corresponding fluorides.
Those distances that were not available
in the literature w e r e estimated by e x ­
trapolation and interpolation. At present,
there i s no entirely satisfactory means of
determining the M - O - H and O-M-O bond
angles in the g a s e o u s mono- and dihydroxides, although there i s evidence that
NaOH, KOH, RbOH, and CsOH are l i n 11 12
ear, '
Calculations performed b e ­
tween 110 and 180 deg show that the
rotational contribution i s relatively i n ­
sensitive to the bond angle except near
180 deg. Thus, the angle chosen to
represent the nonlinear case i s not c r i t ­
ical, and we arbitrarily selected 120 deg.
We then u s e d 'Walsh's correlations '
to estimate whether the various hydrox­
ides were linear o r nonlinear. The
dihydroxides w e r e assumed to be e l e c ­
tronically equivalent to the corresponding
difluorides s o that the correlation for
AB„ molecules would be valid. In addi­
tion, the hydrogen atoms in the dihydrox­
-4-
For the vibrational contributions in
the monohydroxides, we assumed that
the O-H stretching frequencies were
3700 cm
(as they a r e in HOH) and that
the M-O stretching frequencies were the
same as the M - F stretching frequencies
in the corresponding monofluorides.
Those frequencies that were not available
in the literature w e r e calculated from the
internuclear distances, using Badger's
lfi
rule.
(The constants we used in
applying this rule are listed in Table 5.)
To estimate the M-O-H bending frequen­
cies in the linear monohydroxides, we
assumed that the ratio of the bendingforce constant to the stretching-force
constant was 0 ^ 2 2 , which is the average
ratio found in the alkali monohydroxides
by Acquista and Abramowitz.
To e s t i ­
mate the M-O-H bending frequencies in
the nonlinear monohyd'-oxides, we a s ­
sumed that th.i ratio of the bending-force
constant to the stretching-force constant
was 0.162, which i s the ratio found in
FOH by Noble and Pimentel.
For the vibrational contributions in
Cie dihydroxides, we assumed that, like
the monohydroxides, the O-H stretching
frequencies w e r e 3700 cm" . The M-O
stretching frequencies in the dihydroxides
were calculated from the M-F stretching
frequencies in the corresponding monofluorides by means of ihe valence-force19
field approximation.
To estimate the
O-M-O bending frequencies in the dihydroxides, we assumed that the ratio of
the bending-force constant to the
stretching-force constant was 0.005 in
the linear dihydroxides and 0.033 in the
nonlinear dihydroxides. These are the
ratios found in the dihalides by Brewer
tion. In making the extrapolations, we
usually assumed that AH, and i S , were
constant. Where the extrapolations cov­
ered a range of more than 2S0°K, the
resulting free energies of formation are
indicated in Table 6 by parentheses. In
calculating the free energies of formation
of Rb„(OH) , we used data not only from
Ref. 4 but also from Ref. 7 (for NaOH(g)
and Na (OH) ) and Table 3 (for RbOH).
Having obtained all of the above infor­
mation, we were then able to calculate
the equilibria of the various gaseous
hydroxides with water vapor, oxygen, and
the corresponding condensed oxides. The
equilibria were calculated at 500°K inter­
vals between 500 and 2b00°K by means of
the expression
10
et al. In addition, the torsional modes
in the dihydroxides were estimated to be
equivalent to the O-M-O bending modes,
with both modes adding tip to three in
each case.
The electronic contributions in both
the mono- and the dihydroxides were
assumed to be the same as those of the
ground states of the corresponding M
and M+2 ions. These ground states are
18
fairly well known.
The electronic con­
figurations were either taken from
20
21
Moore and Wybourne or estimated
from other elements in the same group.
Because of the importance of the ther­
modynamic functions of HOH, the values
assigned to these functions in Table 3 are
7
JANAF values, which include anharmonic
contributions and thus are more precise
than the values calculated with e r r rigidrotator, harmonic-oscillator morel. The
model values of AG, differ from the
JANAF values by 25 cal at 2S8°K and by
344 cal at 3000°K.
Besides estimating the free energies
of formation of the unknown gaseous
mono- and dihydroxides, we also esti­
mated the free energies of formation of
various other unknown gaseous hydrox­
ides (see Table 6). In making the addi­
tional estimates, we used the relevant
JANAF data without chunge. However,
some of the data in the other literature
have not been critically evaluated, so we
used them only as a basis for extrapola­
2
2
2
MO (s.l) +§H20(g) =5[MO (OH) J (g)
x
y
z
+
n
i(*-y-fVy*>*
(5)
AH of the calculations were performed on
the basis of 1 g-atom of element M, so in
the above equation x is the O/M ratio in
MO (s,l), y 13 the O/M ratio in
MO_(OH)
y
z (g), and z is the OH/M ratio in
x
MC^COH) (g). The Bymbol n is the nam
ber of units per molecule if the hydroxide
in question is polymeric dike Na (OH)„,
for example).
At each temperature of interest, we
calculated the partial pressure of each
hydroxide in equilibrium with the corre­
sponding stable condensed oxide and
1 atm each of water vapor and oxygen.
Under these conditions, the partial p r e s ­
sure is, of course, equal to the equilib­
rium constant (K). We did not perform
calculations at intervals of less than
500°K because of the large amount of data
2
-5-
involved, and we did not perform calcula­
tions at temperatures of more than
2500°K because of the sparse data on the
condensed oxides. However, extrapola­
tions and interpolations can easily be
made from plots of AG,/T versus 1/T.
The results of the e q u i l i b r i u m cal­
culations are listed in Tables 7 through
11 and are p l o t t e d in Figs. 3 through
12.
In addition to the data on the gaseous
hydroxides, the equilibrium calculations
also required data on the free energies of
formation of all possible condensed ox-
ides as well as a determination of the
phase of each element i i equilibrium with
some oxygen pressure at the tempera­
tures of interest. These data were taken
from a number of sources,7 ' 22—29 partic­
ularly Ref. 27. The free energies of
formation of the sesquioxides of curium
through lawrencium were a!l assumed to
be equal to the average of the free ener­
gies of formation of A c „ 0 , and Am O,,
and the free energy of formation of the
sesquioxide of element 104 was extrapo­
lated from the corresponding data on
Z r 0 and HfOg.
2
Discussion
The foregoing calculations indicate the
conditions under which particular hydrox­
ides might be observed. For example,
consider the monohydroxide AlOH, which
has been observed at 2000°K. The log-K
value of this hydroxide is indicated in
Fig. 6 by a horizontal dashed line. If we
assume that this value indicates the
approximate limit at which partial p r e s ­
sures can be observed, then there appear
to be two principal areas in the periodic
table where monohydroxides can be ex­
pected. The first area consists of the
alkali metals and alkaline earths, and the
second area consists largely of the tran­
sition metals: boron, chromium through
arsenic, technetium through tin, euro­
pium, osmium through gold, and radium.
In support of this concept, note the recent
30
observation of SnOH.
As for the dihydroxides, tew have
"actually been observed. Of those that
have, Fe(OH) has the lowest partial
pressure at 2000°K. The log-K value of
2
-6-
this hydroxide is indicated in Fig. 11 by a
horizontal dashed line. According to this
figure, it appears that we might expect to
observe similar hydroxides of the alka­
line earths as well as manganese through
arsenic, cadmium through tin, polonium,
and radium.
The equilibrium constants of most of
the remaining hydroxides are many
orders of magnitude lower, so the likeli­
hood of observing these hydroxides is
correspondingly slight. Competing reac­
tions that are energetically more favor­
able may, of course, make it difficult to
observe even relatively stable hydroxides.
It should be emphasized again that the
partial pressures of the mono- and dihy­
droxides do not necessarily represent the
total volatilities of oxides reacti g with
water vapor and oxygen. Many other,
and possibly more important, hydroxides
are thought to exist. The Group VIB
elements are especially interesting in
this regard, for they illustrate how
errors in the electronic contributions are
not known but are believed to be on the
order of ±2 gibbs/mole. or 4 kcal/mole
at 2000°K. The root of the sum of the
squares of the above e r r o r s is 16 kcal/
mole for the monohydroxides and 17 kcal/
mole for the dihydroxides. These values
correspond to e r r o r s in the equilibrium
constants of about a factor of 65 at
2000 K. There a r e additional e r r o r s for
a number of individual hydroxides, for as
mentioned previously, there are cases in
which thermodynamic functions have been
estimated for gaseous elements and con­
densed oxides.
hydroxyl groups can be substituted for
oxygen atoms in gaseous oxides to form
important gaseous oxyhydroxides sucb as
W0 (OH) .
As a final consideration, the accuracy
of the estimated data in this report should
be described. The principal e r r o r s a r e
as follows. The e r r o r s in the bond ener­
gies are generally about ±15 kcal/mole.
The e r r o r s in the rotational and vibra­
tional contributions are about ±1 gibb/
mole for the monohydroxides and
±3 gibbs/mole for the dihydroxides.
These values are equivalent to 2 and
6 kcal/mole respectively at 2000°K. The
2
2
C
-7-
References
1. G . R . B . Elliott, Gaseous Hydrated Cteides. Hydroxides, and Other Hydrated
Molecules. Lawrence Berkeley Laboratory, Rept. UCRL-1831 (1952).
2. O. Glemser and H. G. Wendlandt, "Gaseous Hydroxides." in Advances in Inorganic
Chemistry and Radiochemistry, ed. H.J. Emeleus and A.G. Sharpe (Academic
Press, Inc., New York, 1963). vol. 5, pp. 215-25S.
3. J. Berkowitz, D . J . Meschi, andW.A. Chupka, J. Chem. Phys. 33, 533 (1960).
4. R . C . Schoonmaker and R . F . Porter J. Chem. Phys. 31. 830(1959).
5. F . E . Stafford and J. Berkowitz, J. Chem. Phys. 40, 2963 (1964).
6. C.J. O'Brien, J. R. Perrin, and J. Perrine, "Estimation of the Heats of
Formation of Gaseous Combustion Product Molecules," in Kinetics, Equilibria and
Performance of High Temperature Systems, ed. G. S. Bahn and E. E. Zukoski
(Butterworth, Inc., Washington, D.C., I960), pp. 5-17.
7. JANAF Thermochemical Tables (Dow Chemical Company. Midland, Michigan. 1965
with supplements through 1971).
8. D, L. Hildenbrand, "Bond Energy Relationships in Polyvalent Metal Fluorides," in
Advances in High Temperature Chemistry, ed. L. Eyring (Academic Press, Inc.,
New York. 1967), vol. 1. pp. 193-217.
9. R.C. Feber, Heats of Dissociation of Gaseous Haltdes, Los Alamos Scientific
Laboratory, Rept. LA-3164 (1964).
10. R.A. Kent, K. Zmbov, J . D . McDonald, G. Besenbruch. T. C. Ehlert, H.G.
Bautista, A. S. Kana'an, and J. L. Margrave, "Sublimation Pressures of Refractory
Fluorides," in Nuclear Applications of Nonfissionable Ceramics, ed. A. Boltax and
J . H . Handwerke (American Nuclear Society, Hinsdale, Illinois, 1966), pp. 249-255.
11. N. Acquista and S. Abramowitz, J. Chem. Phys. 51, 2911 (1969).
12. N. Acquista, S. Abramowitz, and D. R. Lide, J. Chem. Phys. 49, 780 (1968).
13. A.D. Walsh, J. Chem. S o c . London 1953(3), 2266 (1953).
14. A.D. Walsh, J. Chem. S o c , London 1953(3). 2288 (1953).
15. J . O . Hirschfelder, J. Chem. Phys. 8, 431 (1940).
16. R.M. Badger, J. Chem. Phys. 3, 710 (1935).
17. P.N. Noble and G.C. PimenteL Spectrochim. Acta 24A, 797 (1968).
18. L. Brewer. G.R. Somayajura, ana E. Brackett, Chem. Rev. 63, 111 (1963).
19. G. Herzberg, Molecular Spectra and Molecular Structure (D. Van Nostrand Company,
Inc., New York, 1945). vol. 2.
20. C. E. Moore, Atomic Energy Levels As Derived from the Analyses of Optical
Spectra, National Bureau of Standards. Circular 467 (1949, 1352, 1958), vols. 1-3.
21. B.G. Wybourne, Spectroscopic Properties of Rare Earths Cnterscience Publishers,
Inc., New York, 1955).
22. C.E. Wicks and F. E. Block, Thermodynamic Properties of 65 Elements—Their
Oxides. Halides, Carbides, and Nitrides, U.S. Bureau of Mines. Bulletin 605
(1963).
-8-
23. R. Hultgren, R . L . Orr. P . D . Anderson, and K. K. Kelley, Selected Values of
Thermodynamic Properties of Metals and Alloys (John Wiley & Sons, Inc., New
York, 1963).
24. D.R. Stull and G. C. Sinke, Ed.. Thermodynamic Properties of the Elements
(American Chemical Society, Washington, D. C . , 1956).
25. H. L. Schick, Thermodynamics of Certain Refractory Compounds (Academic P r e s s ,
Inc., New York, 1956), vols. 1 and 2.
26. A. Glassner, The Thermochemical Properties of the Oxides, Fluorides, and
Chlorides to 2500°K, Argonne National Laboratory, Rent. ANL-5750 (1957).
27. R.G. Bedford and D . D . Jackson, Volatilities of the Fission Product and Oraninm
Osides, Lawrence Livermore Laboratory, Rept. OCRL-12314 (1965).
28. H.A. Eick and R . N . R . Mulford. J. Chem. Phys. 41. 1475(1964).
29. C. E. Holley J r . , E. J. Huber J r . , and F . B. Baker, "The Enthalpies, Entropies,
and Gibbs E n e r g i e s of Formation of the Rare Earth Oxides," in P r o g r e s s in the
Science and Technology of the Rare Earths, ed. L. Eyring 'iPergamon P r e s s , I n c . ,
New York, 1968), voL 3, pp. 343-433.
30. D. E. Jensen, J. Chetn. Phys. 51, 4674 (1969).
31. C . T . Mortimer, Reaction Heats and Bond Strengths (Percjamon P r e s s , Inc., New
York, 1962).
32. A. G. Gaydon, Dissociation Energies and Spectra of Diatomic Molecules (Chapman
and Hall, L t d . , London, 1968).
33. K. F. Zmbov, J. Inorg. Nucl. Chem. 32, 1378 (1970).
34. J. W. Hastie and J. L. Margrave, "ionization Potentials and Molecule-Ion
Dissociation Energies for Diatomic Metal Halides," in Fluorine Chemistry Reviews,
ed. P. Tarrant (Marcel Dekker, I n c . . New York, 1968), vol. 2, pp. 77-110.
35. B. J. McBride, S. Heimel, J. G. Ehlers, and S. Gordon, Thermodynamic Properties
to 6000°K for 210 Substances Involving the First 18 Elements. National Aeronautics
and Space Administration, Rept. NASA SP-3001 (1963).
38. D. H. Cotton and D.R. Jenkins, T r a n s . Faraday Soc. 64. 2988 (1968).
37. P . J. Padley and T. M. Sugden, Trans. Faraday Soc. 55, 2054 (1959).
38. E. M. Bulewicz and T.M. Sugden, T r a n s . Faraday Soc. 54, 830 (1958).
39. T . L . Cottrell, The Strengths of Chemical Bonds (Butterworths Scientific Publica­
tions, London, 1958), 2nd ed.
40.
41.
42.
43.
44.
45.
4S.
47.
48.
D . E . Jensen and P . J . Padley, T r a n s . Faraday Soc. 62. 2132 (1966).
K. Zmbov, J . W . Hastie, and J . L . Margrave, Trans. Faraday Soc- 64. 861 '1968).
K. F . Zmbov and J . L . Margrave, J. Inorg. Nucl. Chem. 29. 5S '1967).
K. F . Zmbov and J. L. Margrave, J. Phys. Chem. 70, 3379 (1966).
R . B . Singh and D . K . Rai, Can. J . P h y s . 43. 829 (1965).
R.A. Kent, J. A m e r . Chem. Soc. 90. 5657 (1968).
D . L . Hildenbrand and L. P. Theard, J. Chem. Phys. 50. 5350 (1969).
K . F . Zmbov and J . L . Margrave, J. Chem. Phys. 47, 3122 (1967).
K . F . Zmbov and J . L . Margrave, J. Fhys. Chem. 7_1. 2893 (1967).
-9-
49. G . B . Belton and A. S. Jordan, J. Phys. Chem. 71. 4114 (1967).
50. O. M. Oy, D. W. Muenow, and J. L. Margrave. Trans. Faraday Soc. 65. 1296
(1969).
51. R . L . Kuczkowski, D.R. Lide J r . , a n d L . C . Krisher, J. Chem. Phys. 44. 3131
(196S).
52. L. V. Vilkov, N. G. Rambidi, and V. P. Spiiidonov, J. Struct. Chem. (USSR) 8,
715 (1967).
53. K . 5 . Krasnov, Izv. Vyssh. Ucheb. Zaved.. Khim. KWTTI. TefchnnL 10. 594 (1967).
54. D . B . Herschbach and V. W. Laurie, Table of Vibrational F o r c e Constants,
Lawrence Berkeley Laboratory, Bept. UCRL-9694 (1961).
55. J . W . H a s t i e and J. L. Margrave, J. Phys. Chem. 73, 1105 (1969).
56. C. Matsumura and D . B . Lide J r . . J. Chem. Phys. 50, 71 (1969).
57. B . F . Barrow and J. B. Beale, Chem. Commun. 1967(12), 606 (1867).
58. D . T . Hawkins and P . D . D e s a i , J. Chem. Eng. Data 13, 497 (1968).
59. B . J . Acker-man, M. Kojizna, E . G . Bauh, a n d B . R . Walters. J. Chem. Thennodyn.
1, 527 (1969).
60. B . C . F e b e r and C.C. Herrick, Ideal Gas Thermodynamic Functions of Laathanide
and Actinide Elements. L o s Alamos Scientific Laboratory, Bept. LA-3184 (1964).
6 1 . C. E . Habennann and A. H. D u n e , J . Chem. Phys. 4 1 , 2818 (1964).
62. D . E . Poland, J.W. Green, a n d J . L . Margrave. J. Chem. Eng. Data 7. 3 8 9 ( 1 9 6 2 ) .
6 3 . J . W . Hastie, B . H . Hauge, and J . L . Margrave, "High Temperature Chemistry:
Stabilities and Structures of High Temperature S p e c i e s , " in Anneal Review of
Physical Chemistry, ed. H. Eyring, C . J . Christensen, and H . S . Johnston (Annual
B e v i e w s , I n c . , Palo Alto, California, 1970), vol. 21, pp. 475-498.
64. V. Calder, D . E . Mann, K.S. Seshadri, M. AUavena, and D. White, J. Chem.
P h y s . 5 1 , 2093 (1969).
65.
66.
67.
68.
T . M . S u g d e n a n d K . Schofield, T r a n s . Faraday Soc. 62. 566 (1966).
A. Loewenscmiss, A. Bon, and O. Schnepp, J. Chem. P h y s . 50, 2502 (1969).
H . A . Eick and B . N . B . Mulford, J. Chem. Phys. 4 1 , 1475 (1964).
J. P . Coughlin, Contributions to the Data on Theoretical Metallurgy. O.S. Bureau
of Mines, Bulletin 542 (1954). vol. 12.
6 9 . W . E . B e l l and M. Tagami, J. P h y s . Chem. 67, 2432 (1963).
7 0 . A . B . Nikol'skii and A . N . Byabov, R o s s . J. Inorg. Chem. 10. 1 (1965).
7 1 . G . A . Krestov, Soy. Badiochem. 4, 607 (1962).
72. R . J . Ackerman and R. J. Thorn, "Vaporization P r o p e r t i e s of Thorium, Uranium
and Plutonium Metals and Oxides," i n Thermodynamics of Nuclear Materials
(International Atomic Energy Agency, Vienna, 1962), pp. 445-464.
73. L. B r e w e r . Chem. Bev. 52, 1 (1953).
74. A . D . Man, Heats and F r e e E n e r g i e s of Formation of Barium Oxide and Strontium
Oxide. U . S . Bureau of Mines, Rept, 6171 (1963).
75. K.W. F o s t e r and L.G. Fauble. J. P h y s . Chem. 64, 9 5 8 ( 1 9 6 0 ) .
-10-
76.
77.
78.
79.
80.
R . F . Porter and R. C. Schoonmaker, J. Phys. Chem. 62, 486 (1958).
L.N. Yannopoulos, J. Phys. Chem. 72, 3293 (1968).
O. Glemser and A. Mailer, Z. Anorg. Allg. Chem. 334. 150 (19S4).
O. Glemser, R. Haeseler, and A. Mailer, Z. Anorg. Allg. Chem. 329. 51
O. Glemser, A. MOller, and H. Schwarzkopf, Z. Anorg. Allg. Chem. 334.
(1SS4).
11-
Appendix A:
Tables of Thermodynamic Data
Table 1. Bond energies (in kcal/mole) of the gaseous monohalides and -hydroxides at
298°K. The known values are taken from the indicated references, and the
estimated values are enclosed in parentheses. The reactions involved are
MX(g) « M(g) + X(g) and MOEHg) =M{g) + OH(g).
EIEKEHT
It
«F
H
u
BE
B
C
N
0
F
M
KG
H.
SI
P
s
a
K
Cl
sc
TI
V
at
•H
FE
CO
H
e»
(.CE»
re
to
F»
SH
EU
CD
TB
0»
HO
ER
TH
IB
LU
KF
T»
u
FE
CS
IK
FT
IU
13b
137
136
1S1
129
72
52
38
114
106
160
132
113
77
60
11B
127
its
tkO
140
106
101
108
105
10k
136
ISO
ISO
1*0
133
11291
127
126
11.1
134
126
130
136
(1281
11211
(142)
ISO
ISO
120
120
If 8
lot
sa
60
REF
7
10
8
6
7
7
7
7
7
8
8
8
7
35
e
9
9
13
S
10
in8
10
9
9
9
11
Id
10
9
1.2
42
1.2
3k
fc3
(.3
fc3
10
10
10
10
IS
10
10
18
RCL
103
lit
92
128
SO
C 851
6b
60
98
90
117
119
7k
( 65)
58
101
97
117
11*
112
86
85
90
69
09
120
12k
(1291
11257
11227
(116)
(112)
(189)
(126)
(12k)
(116)
(116)
(117)
(189)
(1021
(12k)
(1451
(13D
I12Ct
(105>
<U»)
( 90)
t 801
65
REF
J
7
I
7
7
HBR
REF
86
100
7
7
7
7
31
7
32
8
7
3k
7
32
7
K
7
7
7
321
7
7
7
r
<)
r
1
)
»
9
J
9
9
1
3
3.
9
iak
66
69
55
60
97
74
101
91
6k
( 60)
52
91
97
105
107
102
77
7k
79
78
78
1>)9
Ill
( 45)
( 411
( 87)
( 93)
( 76)
( 75)
( 92)
( 91)
( 93)
( 93)
( 9k>
1 77)
( 701
( 921
(1351
(1251
(1111
( 931
( 951
( 75)
( 651
60
HOH
9
9
9
9
9
9
9
9
9
9
9
a
3k
9
119
107
113
llk9)
90
( 68)
6k
59
82
97
130
(106)
( 92)
( 71)
60
87
10k
(115)
(110)
(105)
( 801
73
( 791
( 781
( 78)
Ilk
(125)
(125)
(1201
(1231
(1151
(110)
(105)
(120)
(120)
(1101
(110)
(110)
(105)
(1001
(1201
(IkO)
(13SI
(115)
(1001
( 921
( 8?)
{ 701
( 651
REF
ELEMENT
H
BF
7
7
7
31
7
7
7
7
7
7
7
36
37
36
-12-
CU
TH
G»
v£
REf
-
16
9
10
8
ZR
KS
HO
TC
RU
RH
PD
<G
CO
IN
SH
SS
TE
I
CS
88
87
138
119
(110)
68
68
116
127
143
149
140
120
100
100
180
89
70
7k
121
100
106
( 78)
46
120
HE
IL
P9
81
PO
IT
FR
R»
•C
TH
PI
U
HP
PU
M
CI
BK
CF
ES
FH
HO
NO
LH
Ok
40
101
55
60
( 65)
( 50)
(120)
(135)
(152)
(155)
(149)
(140)
(132)
127
(1391
(153)
(150)
(139)
(1441
(149)
(143)
(1361
(140)
(149)
10
10
41
44
»i
SE
BR
RB
SR
r
39
8
9
8
9
8
10
9
10
10
10
9
10
10
10
41
32
9
9
45
ICt.
66
69
114
90
( 851
( 651
52
191
110
127
128
130
105
( 90)
91
85
78
75
49
104
85
85
( 551
50
106
25
88
72
72
( 591
( SOI
(1051
(1201
(1211
(1251
(1231
(1171
(1121
(1081
(1071
(121)
tll9l
(1071
(111)
(1171
(HOI
(1051
(126)
(145)
REF
MR
SEF
9
9
9
9
79
58
119
9
9
9
9
(
(
9
9
9
9
7
9
9
9
9
9
9
9
9
9
32
4
9
9
9
7
9
n7 0 1
581
k6
99
99
116
125
120
92
( 801
61
72
70
69
kl
93
75
74
( 69)
42
96
16
79
62
63
( 55)
( 40)
( 95)
(110)
(107)
(113)
(107)
(102)
( 991
( 93)
( 921
(107)
(104)
( 931
( 971
(1031
( 96)
( 91)
(1121
(IS)
HOH
9
9
601
651
112
< (51
( iS)
( 651
56
83
113
(1201
(127)
(11SI
( 931
( 85)
( «S>
( Ml
( 75)
( 71)
( 451
16
( 69)
( 90)
( 651
56
91
9
9
9
9
(
(
9
9
9
9
9
9
9
9
9
9
9
9
9
4
32
*EF
(
(
(
28)
78
65)
651
( tC)
( 53)
( 961
(1181
(1171
(1211
(1171
(1141
(1121
(1071
(1071
(1171
(US)
(183)
(109)
(1121
(187)
(1(3)
(121)
(140)
38
39
kO
36
38
39
40
38
Table 2. Sum of the bond energies (in kcal/mole) of the gaseous dihalides and
-hydroxides at 298°K. The known values are t&iies from the indicated refer­
ences, and the estimated values are enclosed in parentheses. The reactions
involved are MX <g) = M<g) + 2X(g) and M(OH) (g) » M(g) + 20H(g).
2
ELEHEHT
H
1F2
K
B
C
II
a
re
<L
SI
P
5
«EC
tl
V
CR
m
ft
CD
«cu
ZH
G«
M)
FH
EN
EU
CO
IB
CY
HO
CR
TM
YO
IU
HF
T>
«
RE
OS
IB
FT
»U
re
3C6
300
252
151
102
246
281
294
222
179
268
281
296
278
22%
219
230
22%
221
ISO
191
2<>S
12721
(2671
265
754
28".
13821
(263)
(3711
(283)
(268)
253
3290)
132
110
389
(234)
(220)
(215)
(173)
147
123
2
REF K C C L i e 9 E F H ( 8 R > 2 RSF H ( 0 H > 2 REF
7
7
7
7
7
7
7
7
7
6
7
47
48
9
9
9
7
7
9
9
9
9
42
(•2
•.2
9
9
9
9
9
7
219
211
1S4
129
96
187
211
286
144
1S!>
213
233
241
233
18".
IBB
192
180
177
140
153
187
(2301
(221)
228
229
(236)
123".)
(217)
(218)
(219)
120".)
206
(232)
282
261
21.0
(210)
(200)
(175)
(11.31
12?
187
46
7
7
6
7
7
7
7
6
6
7
7
9
25
9
9
9
9
9
9
9
9
9
9
9
9
9
9
9
9
189
171
(100)
( 50)
( 20)
115
(150)
(145)
( 95)
(100)
191
205
220
203
155
159
163
155
149
123
128
161
(198)
(183)
201
202
(205)
(202)
(186)
(186)
(188)
(171.)
180
(202)
25S
231
215
(165)
(170)
(155)
(125)
106
88
7
7
7
7
7
7
9
9
q
9
9
9
9
9
a
9
9
9
9
9
9
9
9
253
265
(200)
€1451
C 98)
(195)
(258;
(240)
(193)
(160)
204
(250)
(248)
(235)
(185)
(190)
196
184
1»2
(145)
(150)
(190)
eiCHEKT
H
KF2
7
7
66
IS
SE
SR
Y
ZR
KB
NO
tc
RU
36
RH
PO
IS
CO
IN
SX
49
49
49
ss
TE
(230)
(221)
(228)
(229)
(236)
(234)
(217)
(218)
(219)
(284)
(206)
(232)
(290>
(2801
(253)
(220)
(200)
(175)
(150)
(125)
(110)
8*
L»
CE
PR
Tt
pa
at
P0
R*
«C
IH
P»
0
HP
PI)
M
CM
9K
CF
ES
FH
DO
NO
L*
04
-13-
239
215
167
264
287
319
32»
264
(210)
283
191
146
128
156
225
229
(223)
187
275
(313)
(385)
(293)
(198)
188
(198)
(150)
(280)
(1141
312
(2911
(283)
(276)
262
(263)
(267)
(2811
(261)
(269)
(280)
(267)
(25S)
(289)
(330)
REF H C C L I 2 REF H ( W ) 2 REF R ( 0 K > 2 KEF
9
9
9
9
47
7
9
9
9
9
9
9
9
9
9
9
9
9
13
33
188
1S5
117
221
251
251
27*
214
(189)
173
161
116
98
134
173
184
(168)
136
229
(278)
(244)
(236)
(1411
145
(148)
(118)
(248)
(262)
(237)
(2311
(226)
(211)
(282)
(207)
(226)
(2211
(2(8)
(209)
(219)
(2(7)
(195)
(221)
1288)
SO
9
9
9
9
7
9
9
9
9
9
9
9
9
9
9
9
9
K>4
139
95
194
221
243
241
191
(1661
151
137
95
76
116
153
157
(144)
(1151
285
(228)
(212)
(2(51
(128)
U»
(116)
( 951
(218)
(2241
(2111
(2(31
(1951
(1(31
(174)
(178)
(1671
(1(21
(1681
(18(1
(191)
(17(1
(166)
(187)
(255)
51
9
9
9
9
7
9
9
9
9
9
9
9
9
9
9
CMS)
(178)
«Z()
Z1Z
(251)
(M5>
(2751
(I2(>
(19(1
(178)
(185)
(121)
(HI)
(131)
(111)
(1(5)
(1(5)
(141)
H I
(171)
(146)
(236)
(1451
9
(Ml)
(1*1)
(ill)
(14(1
(HZ)
(WT)
(»1)
(ZZi)
(2111
(111)
(1171
(226)
(ZZlt
(211)
(Z(91
(219)
(217)
(195)
(ZZI)
(HI)
3*
3d
Table 3 . Thermodynamic functions of the gaseous monohydroxides. The known values
a r e taken from the indicated references, and the estimated values are en­
closed in parentheses.
TABLE 3.0O1
T H W t O O m i l i r FiranTIOIlS FO*
HOH (Gl
(TAKEN FaOH JJSIIAF TA9LESI 141
.FUNCTIONS FOR H IDEAL.
HOHATONIC GAS
CP.
T K SJBBS/mu
239.
500.
1990.
1500.
8. 26
8.41S
9.951
11.237
2508.
3000.
13. 3 C.
zooo. 12.963
iz.zu
T M U 3.00?
S
eisss/noi.
••5.106
49.3J4
55.592
59.659
63.234
66.:34
69.421
-(G-»298l/T,
GIBBS/HOI
45.196
66.026
"•9.382
52.195
64.543
56.577
58.354
H-H299,
SALSNOl
FREE FHERSY CF
F0KHATIOM,
CAL/NCL
-IS-HZ95I/T,
-51636.
-52361.
-i6O40.
-13297.
-3Z401.
-Z5439.
-l»438.
27.39Z
27.955
29.917
31.1.38
32.621
33.581
31..369
0.
165"..
6209.
11495.
17373.
23653.
31291.
ezass/RaL
FREE ENERGY OF
FOSKATJCH,
CAL/KOL
49585.
46121.
39562.
326*5.
255 3 8 .
19316.
11039.
THERNODYNAKIC FUNCTIONS FOR LIOH ICI
RFFEREHCE
INTERNUClEta DISTANCE. ANGSTROItS
1.582
BONO ANGLE i DEGREES
1190.1
I . 6»CH»»Z
1.171237E-39
OUAHTUN HEIGHT OF GROUND STATE OF *1 M
1.
H-0 STRETCH FREQUENCY, M»l/E NQS.
911..
STRETCHING FORE CONSTANT, RDTMT/IINESTROM 12.390091
H-O-H BENDING F^QUENCY. NAVE NOS.
t 1.09.1
SENDING FORCE CONSTANT. HOYKE/AHGSTROH
(0.059601
HEAT OF DISSOCIATION I T 299K TO H|G1 AND
196685.
C l ( G I . CAL/NQL
REFERENCE FOR FIEE ENERGY FUNCTIONS FOR GASEOUS EUENENT
REFERENCE FOR R E E ENERGY OF FORHAYIOH OF 6ASE0US ELEHEHT
7
20
7
7
.FUNCTIONS FOR L I IDEAL.
RQMTOHXC GAS
T K
298.
519.
1999.
1589.
2989.
2590.
3999.
CP.
6IBBS/R0L
It.338
11.658
12.918
13.597
13.95%
14.234
lfc. M l
S
GIBBS/NOL
49.393
54.816
62.514
67.851
71.803
74.949
77.561
-(G-H29SJ/T,
GIBBS/NOL
H-H29B,
CAL/NOL
48.383
69.533
54.119
57.853
68.868
63.3*0
65.53Z
8.
2241.
8484.
14996.
21879.
28922.
36087.
-14-
FREE ENERGY OF
FOgKATION,
CAL/NOL
-59157.
-59191.
-57999.
-56126.
-46370.
-33699.
-210Z9.
-IG-HZ9BJ/T,
GIB8SSH0L
FREE ENERGY OF
FORMATION,
CAl/NOL
33.143
33.786
35.669
37.189
3B.-J7Z
39.333
40.144
39682.
25466.
13966.
2972.
8.
8.
8.
TABLE
3.U03
THERnOOTNMir
FUNrTIOHS
fOR EEOH [ G l
:
REIER£I
BONO 1I1CLE,
DEGREES
I , G»C""2
QU1HTUH HEIGHT OF GROUKO ST4TE OF » 1 "
K-0 STRETCH FRE3UEKPY, M t f E HOS.
STRETCHING FORCE CONSTANT,
«OYIiS/M«KTOOH
H-O-H 6EHQIKG FREQUENCY, « < E HOS.
BEHOING FOTE COHSTailT, naYKE/JtlGSTRO *
1
HEAT
OF oissGCieriaii
AT 29SK
TO H I G I
SBO
1.361
(180.1
S.2HS72E-1.0
2.
1265.
(9.366911
< 579.1
(0.115451
113647.
7
20
7
7
O H ( G I . CBL/HOL
REFERENCE FCB R E E EME 'Glr F t H C T l O h S FOR GeSEOUS ELEMENT
REFERENCE FCK R E E ENERGY CF FOSHHTtOH OF GSSEOUS ELEKEHT
.
Cf ,
T K GIBBS/«L
290.
500.
1000.
1500.
2000.
250U.
3000.
9.273
10.159
12.514
13.352
13.IE*
1*.175
1*.470
T1BLE
3 . JO*
S
5IBB5/H0L
-(G-H29»)/T,
GI09S/X0L
* S . 23*
t°.351
53.619
57.195
60.111
62.550
F*.CR7
m.23"S3.1.53
61.575
66.020
70.737
73.S67
76.*70
TMERMOOYNIWir
FUNdlOHS
FREE EHFRGT OF
FQRHlTIOHi
- IG-H29I!) n ,
CtL/HCL
GI3BS/H01
H-H298,
C*L/HOL
0.
2051.
7956.
11.1.35.
21253.
28269.
351.09.
FOR BOH
FUNCTIONS FOR BE I O E 1 L . . . .
KOMTOHIC G»S
-26588.
-27772.
-29967.
-31691.
-32253.
-32*77.
-2621.6.
32.51.5
33.108
35.079
36.591
37.773
T9.73*
39.5m
FREE ENERGY OF
FORM T10t(,
CIUKDL
69231.
63141.
talis.
3331*.
19B0*.
6661.
1.
(61
REFERENCE
1.265
IHTERHUCLE-1R D I S T l N C E t
*NGSTROWS
(1SO.I
BOND I N G L E . DEGREES
1.1255*1E-S9
I , G»CM«2
QUiNTUH UEIEHT OF GROUND ST1TE OF n »
1.
H-0 STRETCH FREO'JENCY, HAVE HOS.
l*lt>.
STRETCHING FORCE C 0 N S T 8 H T ,
XDYNF/1HGSTROH
(7.340921
H-O-H BENDING FREQUENCY, i u < E N 0 5 .
( 662.1
BENDING FORCE C3 4 S T I H T ,
nOYkE/lNGSTROH
(0.16150)
HEAT OF O I S S O C H T I O H »T 295K TO H ( G I 1HO ( i * ! a a i . i
0>i(GI, SSL/10L
REFERENCE FOR F*EE ENEPGY FUNCTIONS FCR G1SE0US ELEMENT
REFERENCE FOR FREE EHERSY CF FORHATIOK OF GJSEOUS ELEMENT
7
2"
7
.FUNCTIONS FOR B I D E M . . . . .
CCIHIiTOKIC M S
CP,
T K GIBBS/HOL
298.
500.
1000.
15)0.
2090.
2500.
3000.
8.56k
10.518
12.3*6
13.272
13.917
It.14*
14.31.8
S
GIBSS/MOL
*7.*03
52.M9
60.366
65.561.
69.*6*
72.585
75.183
-(G-H298I/T,
GIBBS/HOL
*7.*B3
*8.*75
52.619
56.109
58.981
61.1.0(1
63.*97
H-H293,
CC/HOL
0.
1972.
7757.
11.182.
20966.
27963.
35089.
15-
FREE ENERGY OF
FORMATION,
C1L/H0L
-7*71.
-8605.
-11056.
-131*8.
-1*96*.
-16*32.
-16595.
-(G-H29SI/T,
GIBBS'HOL
36.6*9
37.212
39.175
10.696
*1.87B
1.2.839
1.3.6*6
FREE ENERGT OF
FORMATION,
CAL/KOL
122291.
115183.
9712S.
79389.
61935.
**SS7.
29103.
T»BLE 3 . 0 0 5
THERMODYNAMIC FUNCTIONS FOR COM
(61
REFERENCE
IHTERHUCLE'K DISTANCE, AHGSTRONS
1.Z67
BONO ANGLE, DEGREES
UZ9.»
I 1 » 1 2 » I 3 , G»»3 » CH»»6
*.29Z3Z7-118
QUA'iTUH HEIGHT OF GROUND STATE OF *1 H
2.
H-0 STRETCH FRE3UEHCT, HAVE DOS.
1308.
STRETCHING FORCS CONSTANT, KOYNE/AHGSTROH 16.728211
H-O-H BENDING REOUEHCY, VJIVE H05.
(1716.1
BENOING F O « E CONSTANT, HOTNE/AHGSTROH
(1.089971
HE»T OF DISSOCIATION AT 29BK TO H(G> MO
93000.
OHCG), CAl/HOL
REFERENCE rflR R E E ENERGY FUNCTIONS FOS 6ASE0US ELEMENT
REFERENCE FOR P t £ £ ENERGY OF FORMATION OF GASEOUS ELEMENT
7
20
7
31
7
?
.FUHCTIGSS FOR C IOEU..
ROKATOMIC G»S
T K
c.
GIBBS/KOI.
298*
5S0.
1080.
1S00.
2000.
2500.
30QQ.
8.127
6.991
10.9*2
12.051
12.685
1 3 . 58
13.390
TABLE 3 . JOJ
S
GIB3S/H0L
53.5<i4
57.937
6*.828
69.1.95
73.057
7S.931
78.334
-(G-H298I/T,
GIBBS/MOL
53.54*
5<i.l, 9 2
58.078
61.11.6
63.696
65.865
67.748
H-H298,
CAL/NOL
FREE ENERGY OF
FORMATION,
CAL/HOL
-IG-H29St/T,
GIBBS/ML
86773.
64*06.
79082.
7*273.
69780.
65511..
61437.
37.761
38.325
40.2-JO
<ii.au
*2.995
1.1.958
*4.771
0.
1722.
6750.
1252*.
18722.
25166.
31757.
THERKODYHAHir FUNCTIONS FOR NOH
FREE ENERGY OF
FORMATION,
CAL/HOL
169033.
152546.
133516.
111*92.
95876.
77168.
585*9.
IGI
REFERFHCE
1KTERMUCLE* S DISTANCE, AHGSTR0K5
1.510
BONO ANCLE, DEGREES
I i * I 2 » I 3 , » • • » • CH»«6
9.9872*8-118
QUANTUM WEIGHT 3F GROUND ST»IE OF »i H
1.
ICO STRETCH FREQUENCY, HAVE NOS.
1115.
STRETCHING FO?C CONSTANT, NOTNF/ANGSTROM ( 5 . 3 3 * 7 0 1
H-O-H BENDING RiOUEHCY, HAVE NOS.
(1637.1
BENDING FOttE CONSTANT, HOYNE/ANGSTROM
(0.86*221
HEAT OF DISSOCIATION AT 298K TO H1GI AND
( 68000.1
O H ( G I , CALSHOl
REFERENCE FOR R E E ENERGY FUNCTIONS FOR GASEOUS
ECUS ELEMENT
REFERENCE FOR R £ E ENERGY OF FORMATION
ASEOUS ELEHEHT
7
20
7
7
T
FUNCTIONS FOR N IDEAL.
HOKATDHIC GAS
T K
298.
5)8,
Mil.
1510.
2188.
2580.
3U8.
C»,
GIBBS/lfOL
8.J62
9.257
11.11*
12.1*5
12.7*2
13.096
13.316
S
GISSS/HOL
S3". 238
57.7*1
6*.795
69.515
73.099
75.983
78.392
-IG-H398I/T,
GIBBS/OOL
H-H298,
CAL/MOL
FREE ENERGY OF
FORMATION,
CAL/HOL
-(G-HZ9B>/Tt
GXBRS/HOL
53.238
5*.288
57.887
61.818
63.603
66.80*
67.707
1.
1766.
69«S.
127*7.
18982.
25**8.
32056.
57359.
59**2.
65117.
78763.
76560.
8237*.
96216.
36.61*
37.1T7
39.1*1
40.668
41.6*3
42.8G3
43.611
-16-
FREE ENERGY OF
FORMATICK,
CAL/HOL
113871.
1IE81*.
98510.
99716.
•278*.
7*763.
66683.
TABLE 3 . 0 0 7
THERMODYNAMIC FUNCTIONS FOB GOH
(SI
1.330
IHTERNUCLE3R DISTANCE, 1KSSTROXS
BOND ANGLE, OEGREES
1120.1
I1»I2»I3, G«T • CH"6
6.432649-119
QUANTUM HEIGHT OF G°OUHD STATE OF * 1 H
4.
H-0 STRETCH FS.eauEHCY, HAVE N 0 5 .
i056.
STRETCHING FORCE COHSTAHTi "DYNE/AHGSTROH
•5.13571)
H-O-H BEHOIHG FREQUENCY, HAVE H O ? .
11507.1
BENDING f 0- CE C0-1STAHT, M O Y K E / A H G S T R O H
10.63199)
HEAT OF O I S S O C I A T I O H AT 29SK TO H t G l AND
64051.
OKIGIt 3AL/H0L
REFERENCE FOR F?EE EHERGT FUNCTIONS F 0 2 GASSOUS ELEMENT
REFEREHCE FOR FJEE ENERGY OF FORMATION OF GASEOUS ELEMENT
7
20
7
7
.FUNCTIONS FOR 0 I D E A L .
HOHATOMIC GAS
T K
CP,
GIB8S/P0L
298.
SOO.
1000.
1500.
2000.
2500.
3000.
8.--.1
9.425
11.23i.
12.212
12.783
13.123
13.'36
TABLE
3.309
S
GI88S/H0L
55.762
60.332
67.496
72.253
75.052
78.7*4
81.157
-IG-H298I/T,
GI9BS/10L
55.762
56.71.5
60.1.13
63.656
66.273
68.4«8
7(1.1.01*
M-H298,
CiL/KOL
FREE ENERGY OF
FORMATION,
CAl/HQl.
-IG-H2981/T,
GIBBS/HOL
FREE EHERGT OF
FORMATION,
CAL/HOL
7631..
9532.
11.662.
19997.
25403.
30S5<>.
36353.
38.465
39.055
41.067
42.S11
43.806
44.775
45.S88
55395.
52485.
44875.
37032.
29982.
21073.
13031.
0.
1793.
7013.
12096.
191S7.
2561.1.
32260.
THERMODYNAMIC FUNCTIONS FOR FOH
IGI
XHTERNUCLEAR D I S T A N C E , AMGSTROHS
1.409
BOND ANGLE. DEGREES
1120.1
I1»I2»I3, G"3 • CH"6
1.035431-117
QUANTUM NEICHT OF GROUND STATE OF • ! H
5.
H - 0 STRETCH FREQUENCY, UAVE NOS.
884.
STRETCHING FORCE COHSTANT, MDYHF/ANGSTROH
C3.917631
H - O - H BENDIKG FREQUENCY, HAVE NOS.
1393.
BENDING FORCE CONSTANT, N0YNE/ANSST80M
(0.667191
HEAT OF D I S S O C I A T I O N AT 29BK TO « ( G 1 AHO
59352.
O H t G l , CAL/HOL
REFERENCE FCR R E E ENERGT FUNCTIONS FOR GASEOUS
ELEHEKT
IEOUS ELEHEKT
REFERENCE FOR F * E E ENERGT OF FORMATION OF GASEOUS
ELEMENT
GASEOUS ELEMENT
7
20
17
17
7
7
7
FUNCTIONS FOR F I D E A L .
R0MTOKT.C GAS
T K
298.
5«».
1111.
1510.
2880.
2518.
3111.
e».
GIBBS/ML
8.579
9.746
11.483
12.310
12.826
13.158
13.361
S
GIBBS/HOL
57.819
61.743
64.183
73.S91
77.510
St.412
82.830
-IG-H29SI/T,
GIBBS/HOL
57.819
58.135
61.887
65.131
67.792
70.835
71.972
H-H298,
CAL/HOL
0.
1854.
7196.
13141.
19436.
25941.
32575.
-17-
FREE ENERGT OF
FORMATION,
CAL/HOL
-28824.
-27235.
-22848.
-18229.
-13521.
-8760.
-3949.
-(G-H298I/T,
GXBBS/MOL
37.917
38.528
40.615
42.281
43.42X
44.406
45.230
FREE ENERGT OF
FORMA TICK,
CAL/HOL
14777.
11927.
4522.
-3(65.
-16733.
-18448.
-26191.
TABLE 3.GD9
THERHOOTMAHIC FUIICTIOMS FOR II10H
(G)
REFERFKCE
1.530
IHTERI1UCLE3R DISTANCE, ANGSTROMS
BONO ANGLE, DEGREES
140.
I , G»CH"2
6.593<.61E-39
1.
QUAHTUH HEIGHT OF GROUND ST ATE OF »1 H
1.31.
H - 0 STRETCH FREQUENCY, HAVE MOS.
STRETCHING FORK CONSTANT, COYNE/AllGSTROr
1.07000
H - O - H BEHOIHG FREQUENCY, HAVE " O S .
337.
BEHOIHG FORCE CONSTANT, HOTNE/ANGSTROM
0.02631
HEAT OF 0 I S 5 0 C I S T I 0 N AT 2 9 ! « TO H ( G I AND
821.;?.
O H I G I , CAL/MOL
REFEREIICE "OR FREE EHERGT FUIICTIOMS FOR GASEOUS ELE1EIIT
REFERENCE ' CR FREE EHERGT OF FCPMATIOH OF GASEOUS ELEMENT
11
11
20
11
11
11
11
7
. F U K C T I O N S FOR H i I D E A L .
HCMATOHIC GAS
T K
CP,
GI9BS/V0L
299.
500.
1000.
1500.
2D0D.
2500.
3000.
11.-60
12.399
13.C55
1 3 . . , 17
1U.,IS
11..271.
1I..UU0
TABLE 3 . 0 1 1
S
GI69S/H0U
Si.578
60.901.
69.613
75.017
79.991.
82.151
J1..T70
-(C— H 2 9 I J I / T ,
GIBBS/HOL
51..5?"
55.9-<G
E0."03
64.695
67.79".
7C.J61
72.550
H-H299,
CAL/HOL
FREE E'lERGY OF
FCRH5TI0II,
CAL/HOL
-(G-H?96l/T,
GIBBS/NOL
FREE ENERGY OF
FORMATION,
CAL/HOL
-1,7(57.
-••791.5.
-1,7233.
-39772.
-29950.
-17992.
-7150.
36.71".
37.277
39.239
1.0.760
1.1.91.2
1.2.903
1.J.711
18WS.
139 9 0 .
3529.
0.
0.
0.
0.
9.
21.37.
9910.
151.93.
22399.
291.77.
366S9.
THERMODYNAMIC FUNCTIONS FOR HGOH
(Gl
1.752
INT6RHUCLFAS D I S T A N C E , AHGSTRO»S
BONO ANGLE, DEGREES
(190.1
I , G»CH"2
5.932795E-39
QUANTUN MEICHT OF GROUND STATE 0^ »1 »
2.
M-0 STRETCH FREl'JEllCY, HAVE HOS.
719.
STRETCHING FORCr CONSTANT, MOYHF/AHGSTRUM
(2.98200)
H - O - H 9EN0IHG F5JQUENC7, HAKE NOS.
1 1.70.1
BENDING FO^CE CONSTANT, HOYNE/AHGSTROM
(1.0631.1)1
HEAT OF DISSOCIATION AT 2 9 6 K TO H(G) ANT
96713.
O H ( G ) , CAL/MOL
IEOUS ELEHEHT
REFERENCE FCR FREE ENE°GY FUNCTIONS FOR GASEOUS
REFERENCE FCR FREE ENERGY OF FORMATION
iASEOUS ELEMENT
7
20
7
7
7
7
FUNCTIONS FOR HG I D E
KOHATOHIC GAS
T K
298.
500.
100G.
1500.
2000.
2500.
3000.
c,
GIBBS/»OL
10.'90
11.7P9
12.6/9
1J.536
13.'72
11..21.5
I d . 1,19
s
Giaasz-iOL
5 1 , . 291,
60.06<.
63.610
71.991,
77.11.2
91.092
33.705
-(G-H2991/T,
GIRBS/*0L
5U.294
55.536
60.156
67.926
66.956
69.1."
71.639
H-H298
CAL/HOL
t
0.
2261..
91.73.
15087.
21972.
29D31.
36200.
-18-
FREE ENERGY OF
FORMATION,
CAL/HOL
- 5 3 m .
-55000.
-57029.
-51.691..
-U3K6.
-33365.
-22309.
-(G-H2981/T,
GI9BS/HGL
FREE ENERGY OF
FORHATICH,
CAL/MOL
35.501,
36.067
3 9 . 0 29
39.550
•,0.732
1.1.693
1.2.500
270 2 5 .
21504.
S557.
0.
0.
0.
0.
.i)ii
iHE^noortismr
F C H C I I O M S FOP ALO» « G I
REFERENCE
1.655
i m E a w u t t e i f O I S T A H C E , AMGSTROHS
(ISO.)
BONO ANGLE, O i G I E E S
I , G»CM«»?
s.*as*aiE-39
QUAMTUH H i : C M T 3 F GROUH3 STATE OF » l H
1.
H-0 STRETC F R f T I E H C T , m v E HOS.
902.
STRETCHIHG FOSCT COIISTSHT, •OTME/AIIGITROl13.71. 8*1)
H-O-H BFMOJIUE F ^ E O U E W T , «JUE I'CS.
1 523.1
BEHOIHG FO CF C3-4STSHT, K 0 T « F / e n G $ I » O H
(3.082*61
HEAT OF O I S S O C I S I I O I I S I 299K TO » I G I £1)0
139*92.
D U G ) , CSL/10L
REFEREKCE FCS F?EE E'lEHGT FUHCTIOhS ^ 0 3 GASEOUS ELE1F-IIT
REFEREKCE FCS F?£E EriERGV OF F o » - e t I 0 1 l OF GASEOUS ELEMEMT
7
20
7
7
.FUNCTIONS FOR »L I D E A ! . .
KOHATOHIC GAS
CF,
T K GI0B5/MJI.
1 0 . i.O
11.561
1 2 . - 05
13."02
13.952
1*.2J2
298.
500.
1000.
1500.
2000.
2500.
3000.
i*.*ic
TABlS
3.112
S
GIBTS/XOL
52.602
59.212
66.?91
72.31*
75.955
79.111
SI.723
-IG-H29S1/T,
GIBPF/iOL
52.**?
53.315
5».33*
62.oi;7
65.051
67.567
69.715
M-H298,
CAL/HOL
FREE EHEBGT OF
FORMATION,
CAL/NOL
a.
-%*7l2.
-••5725.
-*7366.
-*?167.
-,6569.
-HS690.
-387*6.
2203.
83*7.
H935.
21005.
28659.
36023.
-eG-M298l/T,
GIBBS/HOL
39.30k
39.878
til.St*
"(3.395
**.5B3
"•5.51.7
1.6.357
FREE ENERGY OF
FORMATION,
CAL/HOL
65301.
61717.
•.6342.
32735.
19573.
S739.
«.
THERMODYNAMIC FUNCTIONS FOR S I O H I G )
REFERENCE
IHTERHUCLEAA O I S T A K C E i AhGSTROHS
1.600
BOND ANGLE. O t G * £ E S
1120.1
U*I2»I3, G " l • CH"6
2.353733-117
QUANTUM NEIEHT 3 F GROUND ST9TE OF » 1 »
2.
W-0 S T R E T C FREQUENCY, HAVE NOS.
'57.
ST2ETCHINS F O R K CONSTANT, MOYNF/ANGSTROM
(1..31.627)
H-O-H B E N O : K G FREQUENCY, HAVE HOS.
11505.1
BENDING FORCE CONSTANT, nOYNE/ANGSTROH
10.701.10)
HEAT OF D I S S O C I A T I O N AT 29BK TO MIG1 AND
I 106009.1
O H ( G l , CAL/MOL
REFERENCE FCS R I E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR R E E ENEPGT OF FORMATION OF GASEOUS ELEMENT
20
7
.FUKSTIOXS FOR S I IDEAL.
HOHATOMIC GAS
T K
293.
SAO.
IRIS.
1516.
2000.
25B0.
3000.
c.
GIBBS/ROL
8.503
9.683
11.3*3
12.'66
12.81*
13.11.1.
13.350
S
GIBBS/HOL
56.693
61.1.03
68.691.
73.1.83
77.091.
79.992
82.1.08
-IG-H2981/T,
GIBBS/MOL
56.693
57.707
61.539
6k.766
*7.»15
6O.650
71.591
H-H298,
CAL/MOL
0.
ia*s.
.15%.
13076.
19359.
2SSSS.
32*92.
-19-
FREE ENERGY OF
FORMATION,
CAL/HOl
-CG-HJ981/T,
GIBBS/HOI
FREE ENERGY OF
FORMATION,
CIL/HOL
7S8*.
5320.
678.
-32*7.
-»*7».
-".USB.
-3"i69.
1.0.121
*O.T13
42.73*
* 11.28*
1.5.*91
•.t.*79
*7.318
47171.
89JBI.
7?.229.
5*892.
*II67.
2672*.
13*99.
TABLE 3 . 0 1 3
THERH00YH4MIC FUNCTIONS FOR POH
(Gl
T
IHTERNUCLE4B D I S T A N C E , ANGSTROMS
1.590
BOND I N G L E , DEGREES
1120.)
I1»I2*I3, G«3 • G«"6
2.".61523-11?
QUANTUS HEIGHT 3 F GROUH3 S T i T E OF » i M
1.
H - 0 STRETCH FRE3UENCY, HAVE NOS.
81.7.
STRETCHING FORCE GOHST»NT, NDYHE/ANSSTROH ( 4 . 4 8 0 1 7 )
H - O - H BEMOINS F l E d U E N C T , HAVE HOS.
11S09.I
BENDING FORCE CONSTANT, HOYHE/AKGSTROH
CO.712831
HEAT OF DISSOCHTT.ON « T 29SK TO H I G I «HB
•
92000.1
O H I G I . CAL/HOL
BEFEREKCE FCS F3EE ENERGY FUNCTIONS FOR 6 * S E 0 U 5 ELEMENT
REFERENCE FOR FREE ENERGY OF FORHATIOH OF GASEOUS ELEMENT
20
7
.FUNCTIONS FOR P I D E A L .
KOHATOHIC G1S
T K
CF,
GIBBS/rot
8.597
9.693
11.346
12.267
12.415
13.144
13.350
299.
500.
logo.
1500.
2000.
2500.
3000.
TABLE
3.011.
S
GI89S/M0L
55.553
60.269
67.561.
72.354
75.965
78.863
01.279
-(G-H298)/T,
GIBBS/POL
55.553
56.569
60.1.11,
63.633
66.283
69.518
70.1.1.9
H-HZ9S,
CAL/HOL
FREE EiSKGt OF
FORMATION,
CAL/HOL
-CG-H298I/T,
GIBBS/HOI
FREE ENERGY OF
FORMATION,
CAL/MOL
-5698.
-7517.
-12560.
-62*6.
l « .
6579.
130*2.
30.9BO
39.543
41.505
1.3.026
44.210
45.176
45.997
69798.
63052.
45085.
38881.
30986.
23S22.
165T9.
0.
1850.
7159.
13982.
19361..
25861.
32488.
THERHOOYH1NIC FUNCTIONS FOR SOH
(Gl
INTERMUCLEAR D I S T A N C E , ANGSTROMS
11.6181
BONO ANGLE, DEGREES
(121.)
I1»I2*I3, G«3 • M " 6
2.61.7228-117
OUAHTUH HEIGHT 3F GROUND STATE OF H H
4.
H - 0 STRETCH FRE3UEHCY, HAVE NOS.
( 892.)
STRETCHING F O R K CONSTANT, "OYNT/ANGSTROH
(4.93857)
H - O - H BENDING FREQUENCY, HAVE NOS.
(1607.)
BENDING FORCE CONSTANT, HaTNE/ANGSYRO"
(9.88*85)
B U ' OF D I S S O C I A T I O N AT 2 9 5 « TO H ( G I AND
(
71800.)
O H ( S I , CAL/HOL
REFERENCE COR F ? ; E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE f CR F « £ ENERGY OF FORMATION OF GASEOUS ELEMENT
. F U N C T I 0 N 5 FOR
S IDEAL....
KOXATONIC GAS
.
T K
298.
518.
188*.
1518.
2881.
2511.
3180.
CP,
GIBBS/POL
8.551
9.359
11.258
12.218
12.7!5
13.125
13.336
s
-(G-H29H/T,
GIBBS/HOL
H-H29B,
CAL/HOL
55.415
63.872
78.251.
75.J47
79.647
81.539
93.952
5«.415
59.413
63.296
66.1.02
69. CJ
7S.25T
73.174
1827.
7978.
12968.
19231.
25715.
32334.
GIBBS/HOL
t.
-20-
FREE ENERGY OF
FORMATION,
CAL/HOL
-(C-H29SI/T,
CI8B5/H0L
FREE ENERGY OF
FORMATION,
CAL/MOL
1985.
251.
-336.
•524*.
1G926.
16644.
22*81.
48.886
40.72*
42.868
44.485
45.T2S
46.725
47.5*6
578(4.
58657.
3774*.
31548.
23232.
15851.
(4*5.
Tiei.£ 3.015
THERHOOrtUnlC FUHCTIOHS FOR CLOM (Si
IHTERHUCLEiR DISTANCE, AKGS1R0«S
BOND AIIGLE, DEGREES
I i » I 2 * I 3 , G*»3 • C H « 6
1.628
1120*1
2.951.800-117
5.
781..
(3.9*6681
11". 1.3.)
CO.639361
60*1*.
QUAHTUH HEIGHT DF GROUMO STATF OF M H
H - 0 STRETCH FREQUENCY, H » » E H O S .
STRETCHING FORCE CONST B U T , •QYHR/FHGSTROK
H-O-H BENO-.M; F R I O U E H C T , HUB
HOS.
BEHDIHG FORGE COMSTAST, H D Y K E / « I £ S T = > 0 "
HEAT OF D I S S O C I A T I O N AT 2 9 S K TO P I G ) AHO
O H ( G > , CSL/MOL
REFEREKCE FOR FREE ENERGT FCHCTJOIIS FUR GASEOUS ELEHEHT
REFEREKCE FCR FREE ENERGY OF FOBHATIOH OF GASEOUS ELEHENT
7
20
7
7
....FUNCTIONS FOR CL IDEAL.
HOHATOHIC GAS
CF,
GIBBS/KOl.
T K
298.
500.
1000.
1500.
2000.
2500.
3000.
S.717
9.132
11.1.20
12.'u6
12.939
13.:tO
13.361
TABLE 3.016
S
GIBBS/HOI
59.251
61.. 076
71.408
76.221
79.Oil
82.7*3
AS. 1 6 1
-IG-H29«)AT,
GIBBS/KOL
59.751
60.211
61.. 168
67.1.29
70.047
72.3*6
7k.296
H-H299,
CAL/KOL
FREE ENERGY OF
FORMATION,
CAL/KGL
-CG-HMtlST,
GIBBS/HOI
FomanoR,
CAL/HOL
-1976B.
-18131.
-1359*.
-8916.
-395*.
955.
5903.
39.*56
fcb.051
(.2.187
1,3.827
1,5..187
*6.191
*6.9»7
Z51I2.
22*51.
155*?.
1*16.
U7*.
-61J1.
-13*17.
0.
1878.
72*0.
13190.
19*87.
25993.
32627.
THERHODTHAHIC FUNCTIONS FOR KOH
FREE ENERGY OF
(SI
IHTERNUCLEAR DISTANCE, ANGSTROMS
2.181
HNO ANGLE, DEGREES
tlll.l
I , 6»CN»»2
1.1I7351E-39
OUANTUH HEIGHT OF GROUND STATE OF »1 «
1.
H-0 STRETCH FRETJENCY, HAVE NOS.
*I9.
STRETCHING F O « £ CONSTANT, 'BTNF/ANGSTRON ( 1 . 1 1 7 2 1 )
H-O-H BENSIkt; FREQUENCY, HAKE NOS.
I 320.)
BENDING FORCE CONSTANT, HOVNC/ANGSTROH
(J.02*25)
HEAT OF DISSOCIATION AT 29AK TO HCCI AND
87*12.
OHflSJ, CAL/NOL
REFERENCE FOR R E E ENERGY FUMTTIONS FOR CASEOUS EtEHEHT
REFERENCE FOR FREE ENERGY OF FORMATION OF CASEOUS ELEMENT
51
20
7
T
.FUNCTIONS FOR K I D E M . . . . .
NONATONIC ( I S
.
CP,
T K CIBBS/MDL
Mi.
Sit.
KM.
1511.
Hit.
Mil.
311).
11.076
12.*3?
13.6U
tl.tO
l*.12i
1 * . 277
!*.**!
S
CIBBS/NOL
56.671
6Z.93B
71.767
77.175
•1.153
•».311
1E-.9I1
-Ce-HMH^T,
CHSS/ML
56.671
s«.m
62.921
6S.HI
61.435
72.SK
76.691
H-H298,
CAL/HOL
1.
2*52.
1139.
15517.
22*35.
Mil*).
366*6.
-21-
FREE ENCKY OF
FORMATION,
CU/HOL
-5693*.
-5*7*1.
-55*5(.
-*f»f.
-3*915.
-2*331.
-13761.
•fSHtnu/T,
CIBBS/MOt
3B.2W
31.161
*I.I2Z
*2.»3
tl.SZS
•>*.*»
15.31*
FREE EWtCY OF
RHTNATIOt,
ML/ML
14511.
163 I t .
Til.
0a
$•
$•
(•
T«8LE
3.017
THERROOTHIHIC FUKCTIOHS FOR ClOH
IKTERHUClEaC O I S U H C E ,
BOHO AHOLE. DEGREES
It
1KGSTR01-S
m
H CH"2
<CI
2 . CIO
1180.1
9.1*22*SE-39
26
7
QUHKIUH HEIGHT Or GROUND ST4TE OF » 1 H
2.
t t - 0 STRETCI- FRE1UEHCT, N»VE H O S .
SB7.
STRETCHING FORCE CONSTANT,
K0YNF/8KGSTRO*
13.293*9)
K-O-H SEHOIKG F%£QUEKCT, H1UE H O S .
c ue.i
BEKDIHS FORCE C 0 H S T 4 H T , MB»NE/*HSST»OH
eo.osas?)
HEAT OF O I S S O C H T I Q H I T 2 9 8 * TO HIG» I S O
10*000.
OHIGlf
ULSHOl
REFEREKCE FOR F * 5 E EHERSY FUNCTIONS FOR GtSEOUS ELEKEHT
REFERENCE FCR R E E EHSSGT OF FORHSTIOB OF GSSEOU5 ELEHENT
2k
23
.FUNCTIONS FOR CI I0E4L.
H0N8TOWC CIS
T K
CP,
GIBBS/fOL
298.
500.
moo.
1S0G.
eaia.
2500.
3000.
S
GI8BS/H01
10.753
lZ.jfl7
i2.t«7
13.56B
13.990
lh.?56
Mi.t.27
56.*»S
62.372
71.030
76.*03
40.369
83.522
86.137
T»Bl£ 3.118
-CG-H29»»/T,
GTBBS/^Ol
S6.**S
57.726
62.*36
66.2*9
69.385
71.8H.
74.01*
H-H29S,
C8L/H0L
FREE ENERGY OF
FORMTIOX,
C'l/HOL
-IG-H29J1/T,
SIBBS/XOl
FREE ENERGY OF
FQRMTEQN.
CIUML
-5*0*5.
-55211.
-sm*.
-*7»9*.
•52S63.
-*2521.
-32192.
36.992
37.956
34.518
tl.*3t
SZ.ZZO
ts.i**
**.8H
1*311.
20931.
16351.
S3**.
1.
t.
0.
0.
2323.
859*.
15231.
22121.
29195.
26369.
THERXOOTHUIC FUNCTIONS FOR SCOH (Gl
REFERENCE
r
IHTERHUCLEIB 0 I 5 < N C E (NGSTR0H5
1.919
(OHO (NCLc, OEMJFS
I181.1
I , G>CH"2
*.**365*E-39
OUMTUH WEICHT }F GROUOT ST8TE OF »1 •
3.
H-0 STRtTCH FRE1-JENCY, WYE HOS.
7**.
STRETCHING FO«E COHST1HT, KOYKE/tNSSTRQlt ( 3 . B 1 5 7 2 I
H-O-H BEHOruG F L U E N C Y , U « E "OS.
C 961.1
BEWING FO»CE CO'lSTtHT, HDYRC/81IGSTC3K
(9.883951
HE»T OF OISfOCIlTIOM AT 29IK TO H|Gt I I I
1 115110.)
OH CGI, C*L/«U.
REFERENCE TOR F U E E*C°CY FUNCTIONS FOR CISEOUS
iEOUS ELENENT
ELEnENT
REFERENCE r a t F*EE ENERGY OF FORWTtOtt OF GISEOUS
ISEOUS CLEMENT
ELEMENT
t
57
2*
S3
21
23
FUNCTIONS FOR SC I D E * . .
roHinmic c*s
T K
296.
5**.
110*.
1511.
ZOO*.
c»,
GI8B5/HX.
9.931
11.5*8
« . » «
13.583
13.9E3
«>».
3 * 0 0 . !».•-»
1 * . .11
S
GIBBS/HOL
55.276
62.(67
69.33*
7*.667
73.619
81.78S
8*.377
•CS-«Z9»I/T»
GIMS/»OL
55.276
St.*?5
6».95«
6*.71*
67.719
70.22*
72.371
H*K298>
Ml/IOt.
1.
2196.
•3J9.
1*927.
21100.
28(52.
30816.
-22-
FREE ENERGY OF
FORIWTION,
CiUflK
-172*6.
-10*79.
-2(1*1.
-ewsi.
-23192.
•223*9.
-Z1I5*.
•CG-HZ9II/T,
CIBBS/HOt
61.7**
«.S37
**.II;
*5.»»7
*7.*9*
»«.«7I
*0.9li
FREE ENERGY OF
FMMTICB,
C«l/"Ot
•13*2.
736*6.
57*90.
*19«*.
Z77H.
1*520.
2SZZ.
T»Bl£ J.011
IHERHOOTHWtC FimnTIOMS FOR TIOM (G)
iirr£RnuCLE«o H I S T I K C E I 4HGSTRai-<;
l.<350
7
BOMO INGLE. DEGASES
(120.>
I 1 » I 2 » I 3 , G«*3 » C B " 6
7.1*0312-117
OUIKTUH BEICHI OF 680UU0 STSIE OF »1 H
*.
H-0 STRETCH FRMUEHCY. HME BOS.
590.
STRETCHING F03CT COIISTSHT, «OTKE/tNG<:TROF ( 2 . * * 0 7 5 >
B-O-H BENDING RsauEllCT, H»«E DOS.
11229.1
8EKDIMG FO'CE COtST&HT, noYKE/lHGST90a
10.3951101
WIT 0 DtSSOCUTIOII ST 2 9 8 * TO "IG1 «HQ
( 110000.1
OHIGI, SSL/HOI
REFERENCE <H FlcE EnERGT FUNCTIONS F03 G1SEOUS
SOUS ELEMENT
ELEMENT
REFERENCE FOB F*E1 EKESGT OF FOSrUTIOH OF G1SEOUS
1 S E 0 U 5 ELEHEHT
ELEHEHT
20
7
C
r
7
7
FUNCTIONS FOR TX XOEU..
HOHATOKXC M S
T K
296.
500.
1000.
1500.
2000.
2500.
3000.
CP,
GIBBS/MM.
9 . 1 SB
10.293
11.639
12.-19
12.SC5
13.2C
13.392
TULE 3.021
S
GIB3S/MDi.
60.507
65.625
73.-'35
71.113
61.758
5-.673
O7.-90
-IG-H293I/T,
Gisas/KOL
6t> .5%7
61.673
65.731
60.091
71.021
7 b . 110
7*.071
«-HZ9S,
CU./HOL
FREE ENERGY OF
FORIUTIOR,
ClL/HOl
S.
1976.
7503.
13532.
19S73.
26*97.
33059.
6566.
6121.
1152.
-2571.
-1*25.
-6770.
-760S.
-IG-H296I/T,
GISSS/KOt.
*?.t66
•.3.716
1.5.S33
*7.*SB
•.S.692
1.9.71.1
53.659
FREE ENERGY OF
FOKMTtOR,
CIWHOL
1«Z3*%.
35161.
7T7M.
6132*.
*552i.
3MM.
16753.
THEgHQOVHlHIC FUNCTIONS FOR VOH (G>
REFERENCE
MTEUHJCIEU DISTANCE, 1MGSTR0KS
(1.7611
M a o UCLEi DEGREES
<12t.l
U»I2»IS, B » 3 • CH"6
».9*J»2i-117
QUMTUH NEICHT OF GROUND ST«TE OF U H
1.
H-0 STRETCH FREO/JEKCY, HIKE M S .
I 697.)
STRETCHING FORCE COHST6KT, HDYHEfMiGSTROH <3.*56321
H-O-H BENDING FUSVENCT, HAVE NOS.
C1J97.1
KM1NG F02CE CONSTANT* HDTKE/tHCSTROII
CI.56II11
HUT OF DISSOCIATION »T 2 9 t « TO HIGI MO
( 1I5IC«.1
OHICIi CAl/IWL
REFERENCE FOR REE ENERGY FUNCTIONS FOR CASEOUS ELENENT
REFERENCE FCR F*£E ENERGY OF FORMATION OF GASEOUS CLEHENT
23
21
.FUNCTIONS FOR « IDEAL.
HOtUTOKIC U S
T K
fit.
518.
1011.
tilt.
2IIC.
H i t .
lilt.
Cf»t
CISBS/«OL
O.l'l
9.949
11.4V
12.312
12.'59
13.173
13.371
S
sxsas/WL
57.42*
fi?.^.
•i9.7,s
7..SW
73.21..
61.117
•3.537
-CG-H29II/T.
GliBS/NOL
«7.*»*
i".**"*
'2.W.
«F.»"
(•.*J3
79.665
72.61k
H-H19I,
CAL/HOL
0.
191S.
»?29.
1J33*.
t'JCl«.
26130.
32769.
-23-
FREE EKftfiT OF
FORMATION,
CU/NOL
2*»«5.
2».l2.
Is!'*.
16»M.
iVs".
15253.
1*9S».
-IS-KMll/T,
GI««VHOL
**.5tt
*..2?fc
*T..9S?
,«.»6"»
»<i.7f*
51.3**
51.691
FREE ENERGY OF
FORMATION.
Clt/ML
IU979.
18«93.
SS55I.
64722.
51**1.
33**1.
ZIZ*I.
TABLE 3 . 0 2 1
THERMQDVHUIC FUHCTIOK5 FOR CAOH IG1
REFERENCE
IKTERHUCLEAH DISTANCE, ANGSTROMS
11.7201
10X0 ANSLE, DECREES
(120.1
Ii»X2>X3, C'»3 • C K " 6
*.5**272-117
QUANTUM HEIGHT 3F GHOUHO SI H E OF »1 H
6.
H-0 STRETCH FREQUENCY, HAVE N05.
I 759.1
STRETCHIKB FORCE CONSTANT, HOYNE/ANGSTSOH
I*.12*20)
H-O-H BENDING FREQUENCY, HIVE KOS.
<15i8.)
BEMOIHS FORCE CONSTANTt HOYHE/ANGSTROH
(8.66812)
HEAT OF DISSOCIATION AT 2 9 8 r TO «(6> AND
C 60300.)
0-1CGJ, CAL/HOL
REFERENCE FCR R E E ENERGY FUBCT10HS.FCR GASEOUS ELEMENT
REFERENCE f CS F?EE ENE3GY OF FORMATION OF GASEOUS ELEMENT
28
23
23
.FUNCTIONS FOR CR IDEAL.
ROHATOMIC M S
ee,
T K GIBBS/TOL
8.7*1
9.409
11.ttS
12.287
12.827
13..'52
13,356
299.
500.
1090.
1510.
2000.
2500.
3000.
TABLE 3 . 0 2 2
S
GIB8S/H0L
60.877
65.665
73.011
77.81*
81.1,39
8*. 329
86.7*7
-IG-H298I/T,
GIBBS/MI.
60.877
61.908
65.780
e?.e*e
71.70k
73.919
75.886
H-H298t
CAL/HOl
FREE ENERGY OF
FORHATISS,
CAL/HOL
-IG-HZ98I/T,
GIB8S/M0L
19979.
171*3.
11307.
6SS6.
2778.
5*0.
583.
*i.6J*
*2.197
»*.168
*5.6I*
*6.89l
*7.987
*8.607
0.
1678.
7223.
13160.
19*50.
25951.
32582.
FREE ENERGY OF
FORMATION,
CAL/HOL
1*1:71 .
77055.
59682.
63808.
zriai.
I S 31.
i.
THERMODYNAMIC FUNCTIONS FOR HNDH |G>
IHTERKUCLE13 0I3TAHCE, ANGSTROHS
11.7201
BONO ANGLE. D % > 3 S
(120.)
I 1 « K » I 3 , G»»3 • C H « 6
».685309-117
QUANTUM HEIGHT OF GROUND STATE OF u H
7.
H-0 STRETCo FRFVJENCY, HAVE MOS.
I 75*.)
STRETCHING FORCE CONSTANT, HOYHE/AHGSTROH
I*.12*70)
H-O-H BEMOIAG FREQUENCY, NAVE MOS.
11589.)
SENDING FORCE CONSTANT, HOYKE/AHGSTRO*
(8.66812)
HEAT OF DISSOCIATION AT 298K TO HfG) AMD
73108.
OH ( S t , CAL/ffOL
REFERENCE FOR FIEE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR F*EE ENERGY CF FORMATION OF GASEOUS ELEMENT
20
37
23
23
.FUNCTIONS FOR H> I O E A L . . . .
MONATOMIC GAS
.
T K
298.
51*.
Kit.
1508.
2111.
2518.
3818.
c.
GIBBS/HOC
B.'Ei
9.-16
11.398
12.288
12.977
13.152
13.356
S
SIB3S/N0L
61.339
66.131
73.«98
78.28*
81.599
8*.799
87.J17
-I6-H29M/T,
G1BBS/NOL
H-H298i
CAL/HOL
61.339
62.371
66.25*
69.507
72.172
7*.*17
76.35*
8.
1810.
7227.
13165.
19*55.
25957.
32587.
-24-
FREE ENERGY OF
FORMATION,
CAL/HOL
•582.
-2972.
-7658.
-10598.
-111)77.
-6763.
5257.
-(G-H298I/T,
GIBBS/WJL
FREE ENERGY OF
FORMATION,
CAL/HOL
*1.*9B
*2.I6*
**.83l
*S.5*8
*6.73*
*7.69B
*«.5II
56978.
502*1.
3*32*.
19771.
750*.
8.
0.
TABLE 3.023
THERMODYNAMIC FUNCTIONS FOR FEOH CO
IHTEBHUCLE1R DISTANCE, AllGSTROHS
(1.720)
BOHD ANGLt, DECREES
(120.1
U*I2»I3, G « 3 • CH«6
"..701031-117
QUANTUM HEIGHT OF GROUND STATE OF »1 "
10.
H-0 STRETCH FREQUENCY, KAre NOS.
( 753.1
STRETCHIKG FORCE CONSTANT, K3YHE/AHGSYR0N
(*.12*20)
H-O-H BENDING FREQUENCY, HA»E NOS.
(1909.1
BENDING FORCE CONSTANT, HDTHE/ANGSTBD«i
(0.66812)
HEAT OF OISSOCIATIOH AT 293< TO H(GI IHO
(
79000.)
OH(G), CAL/MOL
REFERENCE FOR F?£E EKEHGY FUHCTIOHS FOR G»SEOUS ELEKENT
REFERENCE FOR FRTe ENERGY OF FORMATION OF GASEOUS ELEHEHT
20
7
7
.FUNCTIONS FOR FE I D E A L . . . .
FOHATOHIC GAS
.
T K
CP,
GIBBS/HDL
298.
500.
1000.
1500.
2000.
2500.
3000.
B.753
9 . MB
11.591
12.2«9
12.827
13.152
13."!56
TABLE 3.02k
S
GI8BS/M0L
62.091.
6 6 . 8 87
71.. 230
79.0*1
82.657
85.557
87.971.
-(G-H29M/T,
GIBBS/HOt
62.09b
63.127
67.010
70.261.
72.929
75.171,
77.111
H-H29S,
CAL/MOL
FREE ENERGY OF
F02IUTI0H,
CAL/HOL
0.
1SS0.
7228.
13166.
19457.
ZS9SB.
32589.
25380.
22502.
1631.5.
12990.
10*50.
9335.
8862.
-IG-H29B1/T,
GIBBS/HOI
FREE EKEIGT OF
FO It RATION,
CAL/HOi.
l>3.112
1.3.506
*6.1*1
1.7.871
*9.167
50.257
51.169
•1593.
•1219.
6,3*61.
*6991.
31627.
1751%.
MM.
THERMODYNAMIC FUNCTIONS FOR COOH (G)
INTERNUCLEAG OISTAKCE, ANGSTROKS
(1.7281
BONO ANGLE, DEGREES
(180.)
I t G«CM"»2
3.11&4*6E-39
QUANTUM HEICHT 3F GROUND STATE OF *t N
9.
H-0 STRETO FRE3UENCY, HA«E N05.
( T»8.»
STRETCHING FORCE CONSTANT, HDYHE/ANGSTRDH
(*.12*21)
H-O-H BENDING FREQUENCY, W»E NOS.
I 556.1
BENDING FORCE CONSTANT, KOTNE/AHGSTRON
(1.(91731
HEAT OF OISSOCIATIOH AT 298« TO N(GI AND
(
78QA8.)
OHIGI, CAL/MOL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR FRSE ENERGY OF FORMATION OF GASEOUS ELEMENT
23
23
.FUNCTIONS FOR CO IDEAL.
NONATSNIC GAS
T K
298.
511.
1(11.
1511.
Zlll.
25tl.
3111.
c»,
GI98S/IOL
9.91*
11.555
12.81*
13.58*
13.953
1*.233
1*.*U
S
GIBBS/NOL
57.77*
63.371
71.Bill
77.17* .
61.126
A*.272
86.88V
•I6-NZ98I/T,
SIBBS/NOL
57.77*
58.97*
63.698
67.228
78.223
72.729
7*.677
H-H29B,
C1L/IWL
B.
2198.
83*2.
1*932.
21815.
28157.
36121.
-25-
FREE ENERGY OF
FORMATION,
CAL/MOL
-(C-H291I/T,
GI88S/NOL
FREE BtRCT OF
FORMATION,
CAL/Nfll
31761.
28796.
2*756.
21721.
21(61.
28156.
19*11.
*2.B79
*3.527
*5.9I1
*7.7»7
*9.271
51.699
51.583
9175*.
t*S76.
67111.
51287.
3*658.
21*11.
STI1.
TABLE 3 . 0 2 5
T H E S I O D r n l U I C FUNCTIONS FOR H I C H
fCI
IHTERKUCLEiC 1 I S T » H C E . AKGSTR01S
It.7201
BOND ANGLE, DEGREES
1190.)
I , G*CH«2
7.T63769C-3°
QU1HTUH HEIGHT OF GROUND STATE OF » 1 «
6.
H-0 STRETCP FRHJUEHCY, KA»E NOS.
I 71,0.)
STRETCHING FORCE COHSTAHT, "OTHI/eHGSTRO)*
Ik.l2fc29>
H - O - H BEHOtKG F ^ S a u E K C T , HAVE HOS.
C SS6.I
BENDING FORCE CONSTANT, KBYKE/AKGSTROH
I0.03S73)
HEAT OF D I S S O C I A T I O N I T 2 9 8 K TO H I G I CKD
I
7*000.)
O H C S ) , C1LSH0L
REFEBEIEE FOB R E E EtlERSY FUNCTIONS FOR SISEOUS ELEHSNT
REFERENCE FOR F * £ E ENERGY OF FORMATION OF GASEOUS ELEMENT
20
23
23
• FUNCTIONS FOR N I I O E 1 L .
HfiHATOHIC GAS
T K
CP,
GIBBS/KOL
29P.
500.
1000.
1500.
2000.
2510.
3000.
9.946
11.555
12.607
13.50k
13.953
Ik.233
lk.»U
TABLE 3 . 9 2 6
S
GIBBS/KOL
59.271
63.367
72.336
77.670
91.621
84.767
97.379
-(6-H299>/T,
GIB6S/KOL
H-H29B,
CALSHOL
FREE ENERGY OF
FOLIATION,
CIL/MOL
-(G-H298I/T,
GIBBS/HOI
FREE E3EKST OF
F0RHATT.O1.
CALSKOL
50.271
S9.k70
63.99k
67.716
70.719
73.225
75.372
0.
219S.
B3k2.
1*931.
2180*.
28856.
35020.
31301.
2S9S3.
24530.
21k75.
19368.
101,311.
17993.
k3.51S
kk.159
k6.k52
kB.25l
kQ.637
50.7*7
51.6«
9195k.
M66S.
v 111.
50191.
3k22C.
IK IS.
5252.
T H E R " O D r N A * I C FUNCTIONS FOR CUOH IG>
REFERENCE
I
INTERNUCLEA9 O K I H C E , ANGSTROMS
1.7k3
• 0 N 0 ANGLE. DEGASES
(1*0.)
I , G»CH"2
3.l0k993E-39
OUIHTUN HEIGHT } F GROUNO STBTF OF » 1 H
1.
H - 0 STRETC1- F R Q ' J E N C Y , HAVE NOS.
622.
STRETCHING FORCT CONSTANT, HOYNF/SNRSTROH
C2.89971)
N-O-H BENDING R s O U E N C Y , HAYE HOS.
( ".69.1
BENDING FORCE CONSTANT, HOYkE/AHGSTRO"
to.86379)
HEAT OF D I S S O C I A T I O N A ' 298K TO H I G I AND
(
60000.)
O H I O , CAL/X3L
REFERENCE FCR R £ E E H S R G T FUNCTIONS FOR GASEOUS
ELEMENT
JEOUS ELEMENT
REFERENCE FDR R 3
ENERGY CF F C H A T I O H OF GASEOUS
ELEMENT
iKEOUS ELEMENT
20
T
7
7
FUNCTIONS FOR CU I D E A L .
HOUTONIC C I S
T K
290.
510.
1110.
1SH.
2110.
2511.
3010.
CF,
GIBBS/W3L
U.576
11.915
12.919
13.555
13.983
I k . 252
Ik.k2k
S
GIB9S/N0L
53.755
59.618
68.231
73.596
77.558
80.716
83.325
-(G-H29SI/T.
GIBPS/NOL
H-H298,
CAL/NOL
FREE EhCRGY OF
FORMATION,
CIL/HOL
"(G-H29MST,
GIB89/H0L
FREE ENERGY OF
FOXMTICN,
CAL/HSL
53.755
55.116
59.687
63.A92
66.577
69.05?
71.2»5
f.
2297.
85k 3 .
1517*.
22062.
29126.
36298.
8778.
7731.
5627.
•292.
klkl.
k257.
Bk66.
39.7kk
k9.307
k2.269
k3.79l
kk.979
k5.9kk
k6.77k
71511.
651kZ.
69791.
J52k7.
21939.
8932.
1.
-26-
TABLE 3 . 0 2 7
THERHOOTHWlt
FICTIONS
FDR ZMOH ( C )
IllTERHUCLEae 9TSTAIICE, AtlGSTROBS
l.aio
s o w ANGLE, DEGRCES
cieo.i
I , G»CH«2
8.238S51E-J9
dUIHTim WEICHT OF GROUND STATE OF » 1 1
2.
K-Q STRETCH F R O l E H C V . " M E 1 1 0 5 .
1 511.»
STRETCHItiG fOiCS
CONSTANT,
KarHE/ANGSTROI12.810531
N - O - H 9EH0ING R E O U E M C T , HAVE H O S .
I 470.1
BENDING FOJCF CONSTANT,
H0»HE/»nr.sTROH
10.051831
HEAT OF D I 3 ' C C I « U 0 » AT 2 3 8 * TO H ( 6 I AHO
(
65039.1
0<(G1, JSL/10L
REFEREKCE rtSP. F * £ ? E'lERGT FUHCTIOUS FOR SaSEOUS
ELEISHT
SOUS ELEISHT
REFEREUCE FCR F>^E C'lSRGY OF FORHATIOH OF GASEOUS
ASEOUS ELEKEHt
5?
20
2k
73
K9XIT0HT.C G»S
CP,
staBS/roi
299.
500.
tooo.
1500.
2000.
2500.
3000.
10.••95
12.-23
1 3 . S7
1 3 . >8k
II..253
I t . 1.25
TABLE 3 . 1 2 8
Olaas/KOL
57.15*
63.010
71.61.3
77.010
80.973
Sk.125
S6.7*c
-IG-H218I/T,
GlBPS/«OL
57.151,
S».fcl7
63.00k
66.891
69.938
72.471
7k.6V
H-H29S,
CAL/KOL
FREE 6HERST OF
FOgHlTIOH,
CAL/NOL
0.
2300.
8550.
15178.
22072.
29136.
36388.
FREE ENERGY OF
-CG-H298I/T,
GIBBS/KOL
FomunoMt
3S.*S2
3l.il*
*8.977
%s.S88
kl.69»
kfc.65i
2275).
17I68.
*32«.
-26330.
-27698.
-245*3.
-2390k.
-12189.
-1*3*.
9158.
*5.*sa
CALrtOL
*.
*.
f.
*.
THERHOOTMMIC FUNCTIONS FOR CIOH Hi
REFERENCE
1HTERNUCLEAR D I S T A N C E . ANGSTROKS
BOKO ANGLE, OEGREES
I , C»CH»»«
QUANTUN HEIGHT OF GROUND STATE OF . 1 n
H - 0 STRETCH FRE3UENCT, HAVE N O S .
STRETCHING FORCE CONSTANT, MDTNEfANGSTRON
K - D - H BENDING FREQUENCT, H A f £ H O S .
BENDING F04CE CONSTANT, HOTNE/ANGSTRON
HEAT OF DISSOCIATION » T 29SIC TO " I G I AND
1.770
itat.t
5k
S.l*223SE-39
1.
5*C.
[2.2*3771
f *16.l
11.0*4361
1MIII.
O H I G I i CAL/HOL
REFERENCE FCR R 5 E ENERGY FUNCTIONS FOR GASEOUS
ELEMENT
EOUS ELENENT
REFERENCE PCR R E E ENERGY OF FORN1TION OF GASEOUS
ELENENT
ASEOUS ELEMENT
28
7
31
2k
es
FUNCTIONS FOR «A IOCAL.
HONATONIC M S
T K
291.
5lt.
IBM.
1511.
2111.
25t».
3111.
CP,
GtBBS/FOL
;*.4E1
1».121
12.9«»
13.EJ3
13.49
It..*?
Ik.131
S
GIBBS/901
S6.J6S
62.3BB
71.B9*
76.»66
8».*3S
B3.599
86.286
•CG-H294I/T,
GIRBS/NOL
56.368
97.SS?
M.*W
66.267
69.331
71.878
7k.J5k
H-H21K,
CAL/N0L
1.
235*.
BIS*.
1533*.
2228*.
29279.
36*56.
-27
FREE ENERGY OF
FOHHATION,
CAL/NOl
-27112.
-2**M.
-295*6,
-29*56.
-29859.
-21*79.
-U892.
-K-H2MJ/T,
CH'S/NOl
*9.3?»
kl.191
k3.5T5
k5.*t3
•6.7*3
k7.1*9
ke.rsi
FREE ENERGT OF
FORHTION.
CAL/NOL
Jttil.
(Hit.
37951.
IlMi.
tZHfj.
*«l.
t.
TABLE 3 . 0 2 9
THERMODYNAMIC FUNCTIONS FOR CEOH IGI
REFERENCE
WTERHUCLEAR DISTANCE, ANGSTROMS
1.71.0
BOW) ANGLE, DEGREES
1121.1
I t » K » t 3 t 6—3 • C H « 6
5.688875-117
QUAHTUB HEIGHT OF GR0U1IO STATE OF >1 H
2.
H-0 STRETCH FREQUENCY, HIKE HOS.
f 700.1
STRETCHING FORCE COHSTAHT, KOYNE/AHGSTROH
(3.77099)
H-O-H BENDING FREQUENCY, HAVE KOS.
(1450.1
BENDING FORCE CONSTANT, HDYKE/ANGSTROH
t0.61089)
HEAT OF DISSOCIATION AT E9SK TO RCGI AND
C 85000.)
OH(SI. CAL/HOL
REFERENCE FOR FREE ENERGY FUMCTIOHS FOR 6ASE0US ELEDEHT
REFERENCE FOR FREE ENERGY OF FORMATION OF GASEOUS ELEKENT
55
20
23
23
.FUNCTIONS FOR GE IOEAL.
POKaTOHIC GAS
T K
CP,
GIBBS/M)L
298.
SOD.
Mil.
1511.
2111.
2511.
3IM.
8.167
9.937
11.453
12.322
12.347
13.165
13.365
TABLE 3.035
S
GI3BS/K0L
$9,726
6(1.582
71.997
76.-20
80.44j
83.31.7
85.766
-(G-H298I/T,
GIBBS/KOI
59.726
60.772
64.700
67.981
70.662
72.918
74.863
H-H298,
CAL/HOL
FREE ENERGY OF
FCRftlTIOH,
CAL/HOL
-CS-K298I/T,
GI3BS/KUL
F»EE cHEHGY OF
FORMTIQN,
CAL/HOL
10156.
0098.
3483.
1767.
1946.
2473.
3195.
40.103
40.942
4J.759
45.782
47.272
4«.446
49,415
79761.
73170.
56178.
41482.
28428.
15541.
2721.
0.
1985.
7297.
1325*.
19562.
26071.
32708.
THERMODYNAMIC FUNCTIONS FOR ASOH IGI
REFERENCE
INTERNUCLEAR DISTANCE, ANGSTROMS
11.6811
KHO ANGLE, DEGAEES
1121.1
J 1 * M » I 3 , 6 « » 3 • CH»«6
4.138958-117
QUAMTUB HEIGHT 3F GROINS STATE OF n n
1.
N-0 STRETCH FREIUENCT, HAKE NOS.
I 812.1
STRETCHING FORCE CONSTANT, NOYNE/AHGSTROH 14.975841
K-O-H BENDING FREQUENCY, MAKE NOS.
(1639.1
SEHOINC FO*CE CONSTANT, HOTNE/AHGSTRON
(1.185961
HEAT OF DISSOCIATION AT 2 9 1 * TO H(GI AND
I 11181.1
CHCG1, CAL/NOL
REFERENCE FCR R E E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR FREE ENERGY OF F0SH1TI0N OF GASEOUS ELEMENT
24
24
.FUNCTIONS FOR AS IOEAL.
NOHATONIC GAS
T K
298.
511.
llll.
1MI.
2111.
2511.
3111.
e».
GIMS/KL
8.8,42
9.656
11.212
lt.ZZB
12.79*
13.127
13.331
S
GIBBS/HOI
56.192
62.912
71.162
74.931
78.SS3
•1.627
13.841
-(G-H298I/T,
GIBNS/MOL
N9.192
59.211
63.134
66.261
68.887
71.115
73.141
H-H298,
CAL/NOL
1.
1851.
7121.
13125.
19292.
25778.
32398.
-28-
FREE ENERGY OF
FORMATION,
CAL/HCL
-44IG.
-6118.
-13983.
-7581.
-1091.
5436.
11994.
-(G-H298I/T,
GIBBS/NOL
FREE ENERGY OF
FORMATION,
CAL/NOL
41.618
42.188
44.140
45.661
46.851
47.821
48.648
55098.
52653.
31657.
24718.
1767S.
10561.
3376.
TABLE 3 . 0 3 1
THERHODTH1HIC FUNCTIONS FOR SEOH I G I
REFEREBCE
IHTERHUCLESS DISTANCE, AHGSTSO»S
11.7601
BONO ANGLE, DEGREES
1120.1
I i ' K ' R t G**3 • C K " 6
5.919093-117
GUAHTUH HEIGHT OF GROUUD STATE OF *% n
4.
H-0 STRETCH FRE3UEHCY, HAVE NOS. '
I 665.)
STRETCHING FORCE £OHSTAHT, "DYNE/ANGSTROM
13.".56821
K-0»H BENDING FREQUENCY, WAVE MOS.
C133S.I
BEHOING FORCE CONSTANT, HOYKE/AHGSTROH
10.55001)
HEAT OF DISSOCIATION AT 29SK TO HIG) AHO
«
65000.)
OH(G), CAL/HOL
REFERENCE FOR REE EHERSY FUHCTIOBS FOR GASEOUS ELEMENT
REFERENCE FOR FREE ENERGY OF FORMATION OF GASEOUS ELEMENT
24
21.
.FUNCTIONS FOR SE IDEAL.
HOHATONIC GAS
T K
CF,
GIBBS/MIL
8.953
10.031
11.561.
1 2 . 31.8
12.163
13.176
13.373
298.
sao.
ma.
1581.
zais.
2510.
3110.
TABLE 3 . 0 3 3
S
GIBBS/HOL
6 1 . (.31
66.336
73.B03
78.61.1
82.270
S5.177
87.S97
-IG-H2Q8I/T,
GIB8S/HOL
H-H298,
CAL/HOL
61.1.31
62.488
66.1.51
69.752
72.1.1.7
74.712
76.663
0.
1924.
7352.
13332.
19646.
26162.
32B03.
FREE ENERGY OF
FORMATION,
CAL/HOL
-9444.
-11446.
-13526.
-8155.
-2717.
279B.
8307.
-IG-H2981/T,
GIBBS/KOL
FREE ENERGY OF
FORKATICH,
CAL/ROL
42.218
1.2.780
44.828
46.461
47.770
48.8*0
1.9.730
39841.
331.65.
19851.
13281.
6331.
-636.
-7713.
THERMODYNAMIC FUNCTIONS FOR BROH (G1
REFERFHCE
IHTERNUCLEAR OtSTANCE, ANGSTROMS
1.756
BOND ANGLE, OEGRSES
1120.1
I 1 * I 2 » I 3 , G « 3 • CH»"6
5.893947-117
QUAMTUH HEIGHT OF GROUND STATE OF *1 H
5.
H-0 STRETCH FREaUENCY, HAVE NOS.
673.
STRETCHING FORCE CONSTANT, WJYNE/ANGSTROM 13.548191
M-O-H SENSING FREQUENCY, HAVE NOS.
11412.1
BENDING FORCE rONSTAHT, HDYhE/AKGSTROH
10.57431)
HEAT OF DISSOCIATION AT 29CK TO HtG) AND
56000.
OHIG1, CAL/HOL
REFERENCE 'OR FREE ENERGY FUNCTIONS FOR G IEOUS ELEMENT
REFERENCE FCR FR£E ENERGY OF FORMATION OF GASEOUS
iASEQUS ELEMENT
7
20
7
39
7
7
FUKCTIOHS FOR BR I0EAL.
HOHATOHIC GAS
T X
298.
518.
llll.
isaa.
2811.
2511.
3881.
CP,
GIBBS/KX.
8.931
18.086
11.498
12.341
12.859
13.173
13.371
S
siaas/HOL
61.887
66.779
74.232
79.865
82.692
85.598
88.119
-IG-H29B1/T,
GIBBS/HOL
61.887
62.941
66.895
70.191
72.881
75.144
77.094
H-H298,
CAL/HOL
0.
1919.
7337.
13312.
19622.
26137.
32776.
-29-
FREE ENERGY OF
FORHATION,
CAL/MOL
-IG-H298)/T,
GIBRS/MOL
-20841.
-19S72.
-15032.
-10263.
-5414.
-523.
4404.
41.805
42.368
44.335
45.880
47.102
48.110
48.964
FREE ENERGY OF
FORMATIOH,
CAL/HOL
19700.
56771.
10274.
3620.
•3162.
-10052.
-17027.
TABLE 1.033
tHERHOOYHanlC FUNCTIONS FOR RBOH
(Gl
R EFERENCE
INTERHUCLEM 0 I 5 7 A H C E , AJiGSTROHS
eCNO ANGLEi DEGREES
I , G»CH"2
QUiMTUH HEIGHT 3F GROUND STATE OF H H
H - 0 S T R E T C M FREQUENCY, HAKE HOS.
STRETCHING FORCE CONSTANT, "OYHF/AHGSTROH
H-O-H SEIIOIKG R E 0 . U E H C T , HAWC NOS.
BENDING FO'CE CO'ISTAHT, HQYHE/ANGSTSOH
HEAT Of DISSOCIATION AT 29SK TO " ( G l ANO
0 « ( 6 I , CAL/MOL
REFEREtiCE I" OR R E E EHEPGY FUKCTIONS FOS GA
REFERENCE FCR F*EE ENERGY OF FORnATION OF
2.300
180.
1.335659E-38
1.
351..
1.05000
309.
0.02054
33000.
56
11
iOUS ELEMEHT
ISEOUS ELEMENT
24
23
20
11
11
11
11
40
FUNCTIONS FOR R8 I O E A L .
P 0 H 4 T 0 H I C GAS
c.->,
GIBBS/HOI
298.
500.
1000.
1500.
2000.
2500.
3000.
11.1!*
12.5C7
13.187
13.632
14.126
14.290
1".. 1.1.3
TABi:
3.031.
GI83S/10L
59.161
6 5 . £9i.
74.54G
79.953
13.933
87.C9Z
59.711
-IG-H2951/T,
GIPBS/10L
5».361
F0.737
65.662
69.579
72.691
75.FS6
77.1.62
H-H298,
CAL/MOL
FREE ENERGY OF
FORMATION,
CAL/NOL
-(G-H298I/T,
GI8BS/H0L
-51.263.
-51.027.
-52255.
-41765.
-31356.
-20977.
-10615.
1.0.630
41.190
••3.150
44.680
<.5.560
1.6.530
1.7.650
0.
21.71..
887».
15562.
221.33.
29564.
36748.
FREE EHERGY OF
FORMATION,
CAL/BOL
12576.
BSD?.
0.
0.
0.
0.
0.
T H E R H O D T N U I C FUNCTIONS FOR SROH f G )
IMTERNUCLE'S DISTANCE,
BOND ANGLEt DEGREES
ANGSTROMS
1.997
UB0.1
I . G»rn»«j
1.092739E-S8
2.
QUANTUM HEIGHT 3F GROUND STATE OF * 1 «
I 507.1
H - 0 STRETCH FRF1UENCT, HAVE NOS.
(2.01.6351
STRETCHING FORCE CONSTANT, "OtNE/ANGSTROH
( 419.1
H-O-H BENOUG FREQUENCY, HAVE " O S .
I0.01.S021
EEHMKG FORCF CO-lSTA'lT, H3YNE/ANGSTROM
103000.
HEAT OF DISSOCIATION AT 298IC TO «1G) ANO
O H I G I , CAL/MOL
REFERENCE -CR R E E ENERGY FUNCTIONS FOR GASEOUS ELEHSHT
REFERENCE FCR F?£E ENERGY OF FORHATION OF GASEOUS ELEMENT
.FUHCTIOHS FOR SR I D E A L .
ROHATOHIC GAS
T <
299.
500.
1000.
1500.
2000.
2500.
3000.
CP,
GIBBS/POL
1 1 . i 1,7
12.156
12.990
1 3 . S9
11.. O n
I*.-61.
I"...:?
s
GI3BS/H0L
51.951
6i.9!9
73.707
79. " i ^
93.
62
16.217
1J.831.
-IG-H2911/T,
GIBBS/POL
58.951
6C.2S6
65.029
£8.873
71.945
74.495
76.671
H-H294,
CAL/HOL
0.
2366.
8670.
15329.
22231..
29305.
361.82.
-30-
FREE ENERGY OF
FORMATION,
CAL/HCL
-56203.
-57359.
-59389.
-55597.
-5?»ai.
".2Y34.
-32179.
-IG-H29BI/T,
GI8BS/H0L
FREE ENERGY OF
FORHATICN,
C1L/H0L
39.323
39.SES
1.1.81.5
i.T.369
1.1..552
1.5.516
1.6.31.0
31203.
25983.
13539.
3076.
0.
0.
0.
TABLE 3.0^5
THER*OOTN«HIC FUNCTIONS FOR »OH
ICI
IHTCRHUCl^'-G I l i T A H C E i SM1STR0»S
2.0*0
BOND A K G t E , O E M Z E S
(ISO.I
I t G»CH«2
1.097555F-3S
OUAHTUH HEIGHT J r GROUNO STATE Of • ! •
1.
H - 0 STRETCH F R F i ' J E H C Y , « A « HOS.
8**.
STRETCHING F O t t E CONST J ' " ' • "OYHE/AUGSTROK
13.38773)
H-O-H eEH3tNG FREQUENCY • K I T E HOS.
( S38.I
SEK3ING FO=>CE C01STAJIT, nOYNE/AKGSTRO*
10.072771
HEAT OF O I S S O r i l T I O I I AT 29SK TO HCGI AND
C 123003.1
0 " ( G » , rSL/HOL
REFEREtCE FO» R E E EIIE'GT FUNTTIOHS FOR GASEOUS ELE1EHT
REFEREHTE FCR F?£C EKEeG* OF FORMATION Or GASEOUS ELEHEHT
28
S3
23
23
.FUNCTIONS FOR
r IDEAL.
PONATOHIC C I S
Cf,
T K GIBBS/HOL
298.
500.
1000.
15S0.
2000.
2500.
3*9*.
10.'27
11.733
12.865
13.531
1 3 . e«
lk..-*3
U.iiH
TABLE 3 . 5 3 5
S
GIBSS/'W.
56.708
62.1.2b
70.972
76.322
80.279
93.»28
S6.C»2
•IG-H2q<l/T
t
Giens/ioL
«6.70»
S7.9SG
62.531
66.289
69.313
71.837
7->.9«9
H-H298,
CAL/HOL
FREE EHERGT OF
FORMATION,
a.
22<iS.
8661.
15158.
21933.
209,91.
16161.
CAL/HCL
-IC-H29I1/T,
Glans/HX
FREE CNE1CT OF
FORM IT. ON,
C1L/MH.
-10540.
-11639.
-13967.
-1*170.
-15761.
-16966.
-13736.
62.87*
63.S7I
".5.169
67.961
60.161
69.97*
53.769
92*9*.
(Ml*.
69991.
96*61.
39911.
26915.
Mill.
THERHODYHIHIC FUNCTIONS FOR ZROH I G I
REFERENCE
INTERNUCLEAR D I S T A N C E , ANGSTROXS
BOND ANGLE, 0EGREE5
U » I 2 » I 3 , G»»3 • C H « 6
QU1HTUH HEIGHT OF GROUND STATE OF U n
H - 0 STRETCH FREQUENCY, HAVE HOS.
STRETCHING FORCE CONSTANT, HDVNE/ANGSTROH
H-O-H BENDING FREQUENCY, NAVE NOS.
BENDING FORCE CONSTANT, HDYNE/ANGSTROH
HEAT OF D I S S O C I A T I O N AT 2 9 8 * TO N ( G I AND
1.999
C129.I
A.399152-117
6.
7
29
7
628.
(1.19128)
C1399.I
19.511661
I 1271*1.1
O H l G I , CAL/HOU
REFERENCE FCR FR2E ENERGY FUNCTIONS FOR GASEOUS EL9RENT
REFEREICE FOR R E E E N E M Y OF FORMATION OF GASEOUS ELEMENT
.FUNCTIONS FOR ZK I D E A L .
H 0 M T 9 U C GAS
T K
299.
51*.
191*.
1991.
2*11.
251*.
31**.
e*.
GIBBS/HOL
9.136
19.992
11.929
12.361
12.171
13.191
13.376
*
GIB 85/HOt
62.191
67.133
76.629
79.i7*
93.1*6
*6.rl*
99.636
-IG-H29M/T.
GIBB5/N0L
92.191
63.296
67.263
79.557
73.259
75.529
77.696
H-HZ99,
Cll/XOL
9.
1931.
73*7.
13375.
19696.
26213.
32*55.
•31-
FREE ENERGY OF
FOAKATIOH,
CAl/HOl
-IC-H29IWT,
GI393/N0L
26991.
2*626.
199*1.
1H5*.
-6317.
12636.
11959.
63.315
66.916
66.617
69.555
6C977
51.165
52.639
FREE ENERGY OF
FMMTXON),
CAL/HOL
111163.
131216.
116391.
9K77.
92962.
*H»1.
92271.
T1BIE 3.017
THHmCTBUlIC FUNCTIONS F0« KHH (CI
*EFEKEKE
MTEMKLEtB DISTANCE, »H5$I(tO«
•MO UH.£> OEKEES
auwTUH VEICKT OF MOUND STITE or »i n
•f-0 STRETCH FKEOUEMCTi K**E HOS.
STKTCHWC FORCE CMXTUdt MSYME/lISStKOH
H-O-H tc*ol»c nEQuewY, u i c Ris.
tl.Uli
till.J
i.
I 711.1
C%.ISMtt
«
cun.i
•EMCUC FORCE COHSTUT, KST»E/MI6ST«ni»
CI.HUll
HEAT CF OXSSSCUTXOM AT Z1IX TO K t » «HD C U S U I . )
OH S I i M U 4 0 1
REFEXBCE FOR REE ENERCV FIMCTI0K FOR GASEOBS O.PCHI
REFEKEXE FOt F1EE EMERST OF FORMTXOM OF 613E0QS EtXKltt
tJ
.FincTiwis FOR •» n u i .
HOUTORXC c i s
CP,
cuts/sot.
••lit
I.IU
SM.
Ml.
till.
till.
XHI.
u.m
tt.ZM
1E.IK
11.1U
13.JM
an.
SIIIX/ML
n.za
tt.ati
71.3M
74.Z11
7- IS
•t.n*
•s.tn
-(6-HJUI/T,
H-MMI,
cii/m
»7».
ilMS.
nxti.
imi,
I.
1HI.
7J*t.
».zzi
M.ZM
*».1M
•T.klfc
71.111
TZ.JM
7*.H*
FtiE OCRST OF
-»S-HMII/T,
FORMTXM,
CXIIt/NM.
inn.
uw.
ZMM.
mn.
sua.
11131.
imt.
*t.%M
tS.tt*
tl.lll
M.IK
M.tll
M.7U
§3.731
mi WUT
FMMTXH.
en/not
OF
1117».
lUtrt.
UHH.
till*!.
inn.
tHtl.
TIKE 3.131 TMERMDTNMIC FUNCTIONS FOR HOOH ISI
REFERENCE
INTCMIJCIEAI OBTRHCE, WKITRONS
•MM AttdE. DECREES
xi*xz*x>» c**s • C M " »
MMMMTMEKHT 3F CROUNO StttE OF *1 «
II.IIII
fltl.l
r.nwH-nr
t.
M-Q STRETCH FniauEKT, W « E M M .
I
STRCTCHUM FORCE CONSTANT, Wm*/i«ST*0»
Ck.MHtl
R-O-* K H o i w FUOVEIKV, MA«E n o s .
cisn.i
KMMG rOWE OOHSIUTt KOTRMNESTKOK
HUT OF DISSOCIATION AT ZMK TO H«(» MO
OHKI, CAL/NM.
II.HI31)
I RMM.I
m.i
REFERENCE FOR nEE EHEKT F a c t i o n FOB CASEOUS EUNCWT
REFERENCE FOR F*EE EHEKT OF FORMATION OF CASEOUS ELENHT
.FUNCTIONS FOR "0 I D E A L . . . .
M u n m e CAS
«n«s/»ov
Ml.
IMI.
1MI.
till.
tMI.
Mil.
I.U*
9.RM
11.391
1Z.Z17
IZ.II*
1I.U1
13. I B
s
eiMs/WL
•Z.ITk
•7.M5
7S.M»
7*.lf7
•>.«7t
II.X72
•1.719
-(E-MZM1T,
SIMS/POL
«E.I7»
«!.«»
•7.111
71.171
73.7X7
71.113
77 . r e t
N-NZM,
CAL/WK
I.
mi.
KM.
13111.
11*71.
Z3971.
IHI1.
-32-
FREE ENERCT or
FORMATION,
CiUMl
•K-HZMI/T,
inn.
*J.«il
•«I»I.
57711.
»7lt.
»«lt.
*M17.
M*17.
HiR/nt
*7.»K
»».§«
M.M1
.
FREE ENERCT OF
F0EMTX0N,
CAl/Ml
1«(3».
UMtt.
turn.
HUM.
•7117.
mit.
*W*7.
TIRE J . i n TKMODTNMIC FUVTtOHS FC* TCOH (•»
(tFHClCE
IKT«»UCtt«l OIIHUCE, MCSTIOHS
ll.MIJ
• t o o M t i c . OCRCES
CIJS.I
I l ' H ' U t C"J • C8»»*
OtMMIlM HEtCHT 3F 6*OU» ST«I OF •« •
«-0 STOEtCK FU3UUCT. e m M S .
7.*tmi«117
7.
C 711.1
sttRCHiM r o w s C0*ST*HT, ( w t M E / u e s m a
I*.K»Z»
H*0-H OUQUC ttEMJBBf, U l C BOS.
•OOIIIC FflBE COKT4HT, SBTlC/MGSTteil
* M OF DISSOCXITZOB K ZWS TO Hist 180
2*
tH».»
II.HR1I
C 1IIII.I
OKJSI, U U f W L
ran r u t OKKSY Functions FOC MSEOOS e i » « r
ttraact
ZS
Z»
MFODCE FCC F « E CWtCT 6F TOCTITIOM OF tttEOSS CLStlCXT
.Fgaetioas re* t e l a u t .
eemiMie u s
CF.
CltKna.
(M.
HI1HI.
1HI.
Hi*.
!M*.
ii.wi
iz.ttT
tt.ta
11.1*1
IX. Mf
TUtC »••**
CMtS/KCH
•1.171
**.a**
7S.4II
• I.Z»
•I.WZ
•4.777
•*.!••
-CC-«HII/T,
RMS/net
M.Z71
M.S11
••.Z(*
71.ttt
Tt.in
J*.HI
Ti.lll
Hint**
eu/wt
FtEE M K I OF
rammM,
•((•KtMI/I,
Ul/SOt.
I.
mi.
7ZM.
13117.
19*72.
nm.
1HIJ.
7**47.
nil*.
•MM.
•UK.
H*W.
tim.
Mill.
n a
R E K T OF
nt«n«i
cu/aK
4I.H1
•I.tlS
*f.MJ
%r.?»
IWHi
117*2*.
1U»1.
4*.IH>
•MM.
•KM.
lUtt.
turn.
S1.7Z*
TWOKOOTMWIC FHCTRttt FM WON 1(1
•XKUICf
l m u i w u M t o m * i i c c , •MCSTMR
OOOO IBHCt K M U
t i ' i t ' i i . • • • « • eir»»»
OjUMTIW I N I t K T W tftOUffO S T « t OF * i
Cl.UII
I1M.1
r.Mtwut
i*.
I 7*7.1
I4.MJU1
WH.I
it.Mtm
C H0M.I
««o s t a n c * r a n u u c T , M K a n .
SflKTCMIk* FOKC CMHTlaT. aH(*7MBHTM«
O-«HI a n o n c r u a o H c r , M « C BOJ.
ocanac race c o a s t M t , mr«E/M«n*t«
N U T or o i i t o c n n o a »x m < t o a i » m
OMCUc Ctl/MOL
O P t m t i r o t r u z cacarr FsacTiow F M castoas n w n
a p a u c t r o t n a c a n s t OF F O C U T I M OF u s c o o t w a n t
»
zs
•Foaetzom FOR m X M M . . . . .
•oa»wie a »
CF,
CI*U/roL
(M>
MM.
1H«.
ZH».
III*.
*.*M
t.Mfc
11.W*
lt.l*7
IC.Itt
It.Ul
I t . MS
•tc-ami/t.
GIOOVICK CTMX/Mt.
s
M.M3
7«.«*
01.1Z7
«7.*»t
H.HI
M.m
TZ.ZM
7k.*K
77.117
71.H1
MHO**,
ui/aK
I.
lilt.
TIM.
1X1*1.
inn.
«»7».
»•*%.
-33-
n u m a s t or
rowuTioa,
cau*K.
'(••KMO/T,
?»»§.
U.HI
711**.
MU«.
(TIM.
JIJ1J.
•tnt.
*JW7.
»*.II*
SI.HI
«.**•
H.*l*
F I R w e n t OF
ronaraoii
CU/MK
i»n«.
1M1H.
117*«l*.
0MI7.
•a«.
4SZC9.
T1M.E 3 . I l i l
IHEMOOTIUnle FIMCTI9NS FOX (MOM IS)
REFERENCE
INTERRUCIEM O:ST«BCE, MCSTROHS
ii.mi
MUD U B l E i OERSES
1180.1
I , C'CK"2
«.lZ3*WE-35
OUMTIM HEIGHT OF GROUND S T « E OF <1 «
n.
B-0 STRETCH FREJUEKCTt W«E HO5.
I 711.1
STRETCHING FDRB CONST**!, iflJtKE/MSSTRO* t t . t t J S E I
N-fl-H KHOIKC REQUEWTt « * « M S .
« S*7.»
•ENDING F01CE COHJMHT, HSTaE/*nCSt«0«
CI.II5*I>
HE4T CF OISSOMlTIOtt «T Z5IK TO H(C) H D
I
Milt.)
OHCSI, CtL/WJL
REFEREKE FOR REE EHERG? FUMTIOHS FOR GRJEOUS CLEMENT
REFERENCE FCR R E E ESEOST OF FGRH1TI0N OF GttEOUS SLERtllT
Zl
Zl
.FUNCTIONS FM CH IOEN..
HONATOHIC u s
T K
c.
6IIIS/H0L
s
cites/not
EH.
$11.
1111.
1SII.
f.97*
11.SK
IE.Ill
13.St*
SLITS
tt.tlt
r*.iri
•1.117
m
i.
HII.
u.tst
1*.Z»
•• 7». %
. »I•7
m i .
i*.<.ii
41.11*
T>CIE J . « «
•IC-HZRM/T,
CIMS/HSL
tlrlTS
•Z.I7I
ti.ilZ
71.1*1
7J.1*7
75.1JJ
7l.llk
H-KMI,
C1UWL
F«£E EXIST OF
FORHUION,
BU/MtH
1.
ZZIS.
m i .
•IG-HMII/T,
»*.3I7
*H*I.
M117.
JI5U.
«7Uf.
um.
zZ Ii Im
.
71.
**.*«•
%7.U7
tt.tlt
SI.IM
SI.117
SZ.R1T
*«*».
3TM*.
W77*.
Kit*.
exits/Mt
F U E ENERGY OF
FHMTiea.
eium
it m i .
11*731.
MT7I.
71177.
•1171.
tfftl.
1I1ZI.
THERMQOTNUIC FUNCTIONS FOt POOH ICI
REFERENCE
IRTERWCLEH DISTANCE, RNGSTROHS
I1.I3II
•OHO UCLE, OECTEES
fltl.l
X. 6»CH«Z
«.l*lllk*>3*
OUUTUN NEICHT OF GROUND STATE Of M •
«.
N-0 STRETCH FREQUENCY, U f E HCS.
I 71k.I
STRETCHING FORCE COKSltNT, KTHE/lKSTIOr
M.IMUI
H-O-K KNKNG niQUEKC*. HIVE DOS.
I $47.1
KMING FORCE W i S T i H T ,
flOYX/RNCSTRO*
11.11**11
HUT OF 0I3SOCIRTIM *T ZUK TO 11(61 MO
I 7SIII.I
OH(CIi C4L/40L
REFERENCE FOR REE ENERGY FACTIONS FOR 0SEOUS ELEMENT
REFERtatE FOR F U E ENERGY C* FORHRTION Of GISEMIS ELEMENT
El
El
EX
.FUNCTIONS FOR PO I D E M . . . . .
HONATOMC u s
T X
CP.
GtHS/RX
EM.
til.
llll.
till.
tllr.
9.17*
U.SM
1Z.I1*
ll.SW
ll.*M
am ni ..
tk.zis
ik.-.u
s
exsss/iwi
CI.171
65.71J
71..M*
7*.Mfc
•3.55*
•».7tt
•9.311
- I t - H M D ST,
eim/xoi
H-KZM.
C1L/NOL
61.171
tl.375
€5.511
M.G3I
77.US
75.153
77.313
27.15.
SIM.
1»WZ.
Z1IZI.
Zllll.
IMtt.
t.
-34-
FREE ENERGY OF
FOIMTXOM,
CU/KOt
1551*.
m i l .
Ml*.
5131.
ZI7R.
US.
-JS«1.
-IC-HMM/T,
r.iiB/wt
35.511
kl.RTI
M.**l
«3.m
*'5.3II
M.S1I
1.7.Ml
FREE EIERGT OF
FORMTXONi
Cll/«l
75111.
illll.
5*1*1.
*IIZI.
ZHH.
1X19.
ill.
TABLE 3.1H3
THERITODTH4HIC FUHCTIOSS F08. AGOH tSI
urnEMCE
IH1EMUCLEU 0I5T1HCE, iHGSTROHS
(1.(391
tOIIO AnGlEa OE«E£S
I Iff.I
X. 6»C»»»Z
fc.795151E-39
OUAKTUH HEIGHT OF OKOUXO S I ME OF t l «
1.
H-0 STKTCH FCE3UEHCT, HAVE NOS.
( Ilk.I
STRETCHWS F0W2 COMSt*MT, flSTNE/AXSsnOil I*.(S3&21
H*0-H iENOKG REOUEHCT, HIVE BOS.
I 5*7.1
•ENDING FOICE COHSTAHT, KDYIC/tKCSHOH
(9.111*11
HEAT OF OISEOCIATXOM » I 29§K TO «(GI 1*9
(
7IIII.I
OKtGl, C1L/KOL
tCFEIEKE FO* REE EBE?GT FimCTtCRS FO» GASEOUS ELEHEST
KEFEKEtCE F(S REE EHE^GT OF FOMATIOH OF GASEOUS EtEBEUT
28
2*
S3
.Ftncnoas FO« AC l o c * .
RnuTonc cis
T K
o.
SIBBS'FOL
Z98.
sai.
«8B.
9.1(8
ii.5>7
12.619
is.'.
13.set
Zlll.
2511.
3989.
13.956
1*.2»
1*.*12
T I K E 3.1*%
S
ciBas/mL
55.55*
69,969
69.1.53
7*.799
78.7*3
61.S90
8*.582
-CG-H29S«/T
GKBS/HOL
t
55.35k
56.55!
61.893
tt.lH
87.829
70.337
72.*W
H-HZ9J,
CAl/HQL
FUEE ENERGY OF
FOMATION,
CAUHOL
-C6-H2M1/T,
Giatt/AQL
FME EKEttT OF
FOIMTION.
CAISML.
6678.
521f.
»S*.
32*1.
37*1.
61*6.
19J11.
fci.319
61.663
*3.B*7
*S.J17
«6.H1
67.516
fct.ltl
fan.
irnt.
t»«f.
urn.
•.
1.
2216.
S36B.
1*953.
21128.
28192.
368*7.
fHH.
t.
THEHHODreiHXe FUNCTIONS FOI CMH 161
RtmEMCC
I M C U M I E U DISTANCE. ANSSTBOHS
1.978
M t M M C i OCGtEES
till.I
I > C*CH»Z
*.*956»E-J9
WNUniW HEIGHT OF nOUNO STATE Of 11 «
2.
« - 0 STRETCH FRC3.UENCV. KA«E M S .
I 5t*.l
STIXTCHTJW FOKC C0HST1HT, UTNESAB6OT.0K
tZ.263*61
N*0-N BENDIBS REOUCNCT, NAVE M S .
I 639.1
KHOXMS F01CE CONSTANT, HaTHE/AWSTROH
18.8*9111
HECT OF a i s s o c n n o a AT Z 5 6 * T O ms> m o
i
*SIII.1
Oh(Gl> CAl/NOl
SSfSESCS FOR R E E ENERGY FUNCTIONS FOR GASEOUS ELENEMT
REFERENCE FOJt F « E EHERSY OF FORMATION OF GASEOUS ELEMENT
52
20
2*
23
.FUNCTIONS rot co I O E A L . . . .
BOKATWIC CIS
.
T K
29*.
518.
tlil.
1581.
Hit.
HII.
3111.
CF.
CUSSf POL
11.927
12.199
12.97*
13.511
13.997
16.H1
1*.*3I
S
GIBBVHOI
57.657
63.659
72.365
77.7Z6
81.695
I*.8*9
87.*65
-IG-H298I/T,
GIMS/ftOL
57.657
58.951
63.711
67.532
71.598
73.1**
75.319
H-HZ9t
CIU«l
(
8.
23*9.
86*6.
15292.
2119*.
29263.
36*39.
-35-
FREE ENECfiT OF
FORMATION,
CAL/HX
-IG-H29II/T.
GIBBS/ML
-1933*.
-11262.
-119*6.
-l»l.
9?»».
21915.
3217*.
*8.665
*8.62l
62.591
**.llt
65.316
*6.2t«
67.976
FREE ENEMY OF
FMMTIOR,
MWMt
16*6*.
IMS*.
989.
t1 ..
9.
1.
T U I E 3.01.5
THERHOOTRMIC FUMTIONS FOR IN0H IGI
REFERENCE
XNTERNUCLERR OISUHCE. IHGSTIOPS
1.570
MNO IMSlCi DECREES
USI.I
I , S«CK"e
l.lt35ME-33
BUWTUIt HEIGHT OF GR0UK9 STITE Of »J «
1.
H-0 STRETCH FREQUENCY, HȴE DOS.
*t*.
STRETCHXHG FORCE CQNSTIKTi 1DTNE/MGSTR0H
11.711671
B-O-lt KHOIkC REaUENCT, U « E WOS.
C 311.1
•ENDING F04CE C9NSTMT. t FiRT/URKTROn
(I.I3I2I>
HOT OF 0I550CMTI0W »T 2 9 1 * TO BCG> 1K>
16193.
OH ( S I . C1L/H3L
REFERENCE FC* REE ETCRGY FUNCTIONS FOR G1SE0U5 ElEBEHT
REFERENCE FOR F*££ EtERGY CF FORHITION OF GISEOUS ELEMENT
2B
**
2*
23
.FUNCTIONS F M I I I O E S . .
HOMTONXC M S
T R
CP,
GIMSnCl.
2*1.
fit.
lilt.
1511.
11.77*
12.2*3
13. H I
13.112
ZIII.
i*.gr»
2MI.
Illl.
1*.»5
1*.*S*
TIME 3 . Q k .
s
GUIS/ K l
S1.55k
•*.*77
73.*37
71.131
12.91*
15.5*1
•I.S7I
-IG-HJfJl/T,
CIUS/XOL
5».55k
» f l l |
u
• I .. Sm
B
71.1*5
7*.717
75.HI
H-HZM,
Ctl/NOL
FREE ENERGY OP
FOMlTIWf
cum*
-IC-HHH/T,
ClltS/HOI.
FREE ENERGY CF
FORM TX ON,
C1L/BOL
*1.SI7
*2.I77
tfc.Ml
*5.472
*7.*13
*I.5II
*17*l.
kklll.
m i l .
IHH.
•131.
1.
-«M7.
-2K71,
-211IJ.
1.
2341.
•731.
m i l .
22311.
2531*.
115*3.
•nni.
-21137.
-1*453.
-W7I.
*«.»•
•«
THERmDimnlC FUNCTIONS FOR JMH <GI
REFERENCE
XNTERNUCLEII OtSTlNCEt 1NCSTR0HS
I 0 W INGLE. DEGREES
X l * I 2 * X t t S**3 * « • • • *
OUIMtUH NCICHT 3F GROOMS 5TITE Of > l «
1.451
I 111.I
1.II331WK
2.
11-0 STRETCH FREQUENCY, HIVE MOS.
STRETCHING FORCE C O N S T 1 N T , OOYNE/IN&STRO*
H-O-M K H S I K S FTEOUERCY, W V C N O S .
BENCIN.; F O * C E C S M T I N T , RDVKE/IHCSTROH
HE»T OF D I S S O C I A T I O N I T M I L TO N I C ) M O
1 5*2.1
I2.*KK*5L
(1221.9
II.SMIII
I
IIIJI.I
O H I O . CIL/HOl
REFERENCE FOR O H ENERGY FUNCTIONS FOR GISEOUS ELENENT
REFERENCE FCR R E E ENERGY OF FORMTIOH OF SUEOUS ELEMENT
55
2*
2*
2*
.FUNCTIONS FOR IN I C C « t .
PONlTONie S I S
T K
24*.
Ml.
1HI.
1511.
2111.
2HI.
3111.
CP,
GXMS/ROL
4J.241
11.311
11.«7
12.k27
12.111
13.217
13.!4*
S
siaas/Noi
ei. i n
11.117
7k.511
74.*X3
•3.111
•5.1H
•l.*2t
-CG-H74II/T,
GIMS/»OL
•LIT*
•2.132
•7.11*
71.lit
73.123
75.kl*
77.317
HtlMI,
CU/"9L
1.
1112.
751*.
11571.
14515.
21*51.
1311*.
3S<
FREE ENERGY OF
FOR NATION.
CU'NCL
•1112.
•*777.
-*l.ll.
-k*Sl.
-kill.
-klk*.
•l»l.
-le-HHii/T,
URNVHOL
*».2*l
kl.lll
*;.!•«
*5.k3l
*7.1»
M.J5S
**••••
FREE ENERGY OF
FOIMTXCM,
CU/IBH.
•3111.
•1321.
**3?l.
1*22*.
22111.
4TU,
1.
T i n e 3.«i.7
t i s a n o g m u i c FUNCTIONS FO» SWH t&>
m r e u c i c i E u DISTANCE, I I B T I O H :
MM) UCLE, 0EC1EES
iflfXi,
ix.nai
I12t.l
G«J • cw»«*
».n»m-iir
QUMTUH HEIGHT OF 6R0UN0 STATE Of »1 »
I,
ft* STNETCH FREQUCNCY, KArt RDS.
I5M.»
STRETCHING FORK CONSTANT, NDTNE/IMCSTROII
|2.f|fH|
H-O-H KNOING FseaUESCT. NATE NOS.
<1J«.>
KNOINS FORCE CONSTANT. HBTNC/AKSTRON
(L.TTVUT
•CAT OF DISSOCIATION AT I | L > TO HICI U S (
75MI.I
O H « > , CAL/HOL
REFERENCE F « FLSE. EKES5Y FUNCTIONS F M GASEOUS CLEMENT
REFERENCE F « F?£E .ENERGY OF FOUMTIGN S F CASEOUS CLEMENT
21
E*
7>
.RUCTIONS FO* S t lOCAt.
•MATONIC (AS
e»t
T K GUIS/ML
EH.
til.
MM.
IMA.
till.
Mil.
(III.
f.tU
I I . US
11.St*
17..371
17. I K
II.til
11.311
TANLC 1 . I M
s
GIBBS/RSI
II.3I7
M.Z19
72. M J
7?.«71
ll.SU
A*. M S
«*.*%!
-CG-XZTMST,
CII1S/40L
ll.ll?
tl.311
M.JT5
M.77*
7i.»J7
73.71k
75.673
H^att,
CAL/NOl
FREE ENTRST OF
FORMATION,
-;5-«MII/T,
C1L/K0L
CI1BS/HO*.
I.
1M».
7*M.
12111.
M7H.
tail.
3CT7J.
-1ST*.
-7Z39.
-177*.
-*MI.
-7M1.
-17*1.
Wit.
tl.Ml
t3.UI
%S.IM
«7.11»
«I.3M
kt.Zlt
59.171
F « £ CNCttT OF
FORMUM,
CAL/Mt
SUIT.
*M9I.
31777.
tWIII.
lift.
1 « « .
-J7SI.
T » f « « B T » M i r FuarTJOKS FO* ICON IGI
REFERENCE
XNTONUCiC** OIITANCE, ANGSTROMS
CI.till
MNO ANtiC, R u m
llll.l
I 1 * U * 1 I , *••» • C*»*i
I.7THJI-117
auMTW NCIGMT 9F CMWNO STATE OF U N
*.
N-0 STRETCH FRtlUCNCT, NATE M S .
«MCI
sncTCNiM race CONSTANT, NBYM/ANCSTRM
t . n m
* * * KNDIIK FRCQUCNCt, M«C M S .
I nt.t
m e i N C fORCC ( m T M T i RSTK/ANUTROM
II.1U1II
WAT OF OISSOCItnoN IT tUt TO N i l ) MO
t
HIH.I
ONIC1, U U N O L
R X T C A W 'ON FREE CNCNCT FUNCTIONS FOB CASEOUS fLCNCNT
REFERENCE r « n e e DNTKT I F FORMATION or CASEOOS CURCNT
ft
»
I*
M
.FBtCnONS *•* TC TOf AL.
NiMwaccu
CN>
T K CIMS/F0L
S
GIMS/NOL
-IG-Nmi/T,
(IMS/MX
»•«««••
CAUNOl
IN.
Ml.
IHI.
IHI.
tMt.
«.»*»
It.IB
11.1M
tt.SU
tt.lll
tl.Ut
M . I M
7i.7»7
HiTU
I1.M*
U . f K
M.M1
il.RW
Tf.AM
Tf.fM
9.
till.
m i .
i n t i
ZHM»
fill.
Il.tZT
11.777
7f.f«*
1IS71.
mi.
u.ni
it.»»
rr.iii
I N K EWNST OF
FORMATION,
-«-NfMI/T.
CAUNOL
KHVIW
»M».
-37-
. 1 M I .
-UIM.
•17MI.
- U M l .
-Hit*.
•IR;I.
-317.
FNI
"NRNAVttR.
Ctt/«H
*!.»*•
*«.<!•
tt.llt
*7.7JI
<•!.«•
Ittlt*
ItrM.
1T*M.
H i t .
ttW.
fl.lll
•1MH.
n.m
-an.
rme 3.9*9 twoannntc
FU«CTTO«S ran IOH ISI
REFERENCE
1.411
IK1ERKUCLCCB OtSttHCE, H G S n O " !
•WO U C l E i OE«EES
1120.)
U < l ! ' » i 6"«J " « ! • • »
4.241412-117
flUMITUK WEIGHT OF GROUKO ST1IE OF H H
5.
H-0 STKTC'I FREQUEKCT, U « E -<S5.
112.
STRETCHING F M E CGNSTUT. lOTO/UlGSTROll ( 3 . 1 3 1 1 1 1
R-O-H 8 f t m i « 6 F l ? 5 U E « T , C l « t KOS.
•1STT.I
•CHOIMe FO-CE COSSTlHT. II91RC/11IGSTRSM
u . s» u» m
HEM OF OXtSOCXlTXCll * t £ 4 1 * TO I f C I U S
t .
OHCSI, C*WWt.
REFEREXCE FOK F l £ £ ENERSf FUNCTIONS FOt CISEOUS ELEICKI
REFERENCE FOR F*s£ EnE«ET OF FOUUTXOH OF SCSEOUS CtEHERT
7
If
7
3*
.FU»CTIWS FOB I IDEM..
MUT9NIC U S
c».
T K GUIS/MOL
t.cn
IM.
in.
ii.ii*
lm
i l it ,.
till.
HII.
1111.
n.sir
tz.'t*
:s-t73
13. I l l
13.177
TMIE i.«»
S
-(G-«4M/T,
cisas/nsi.
GIUS/WI
13 . M l
th.tll
M.075
71.444
7k.in
71.471
71.417
01.111
il.'11
7*.ITS
• I.IK
tk.lti
•7.tU
I4.*«*
H-*ttl
CilVBOt
s
FREE taCKY OF
FOfUTION.
CJUHX
• CG-HMIWT,
awvmt
rttc
nctcT OF
FMM1IOB,
cus*x
t.
-ZM**.
w.tu
uiii.
14**.
7144.
111U.
14711.
2*231.
•tun.
-14417.
-1I1SI.
•11747.
•IHt.
-*II.
*S.7*7
tf.714
*7.21l
*l.*ll
M.IH
M.tH
t fu? nJ ». .
HIT*.
•441.
-7131.
•till*.
•2IM1.
iKEtmonuie ruacueas FOI CIOM ICI
icFttnct
INTERNBCLf>• O I S M K C . laCSttO**
•MS MAC. occurs
I, c*en»t
OUttlUH aC!(MT OF S t o m a ST4TC OF • ! •
*-o staticx rvnutacT, w noj.
STRETCHING FMCI coast tat, «Tar/ntSTiea
••OHI otaai*6 moucact, tutc • « .
Kaoint r a t t t C9W1ST.
naiaC/IMST*Q»
MCM or OISSOCIITIOM »i :«> to «ISI las
omcii <*I/NOL
{.Ml
111.
1.4**»14E-1I
I.
111.
I1.4414l>
JH.
*.IU14
41411.
REFERENCE ro» r»£f c«at« Finciic*! rgi « **l$ ClCarai
iCFiitHci FOR F»-:E M K I «F roMMiioa or uscous
cttam
••scons ctncai
41
tc
il
t*
il
IX
to
2*
13
FUNCTIONS FOR es t a c i t .
wunnc en
T «
140.
Ml.
till.
1SII.
M».
fMI.
llll.
c*.
SUK/*ei
11.1U
lt.417
IS. «
11.42*
1 * . -17
i*.*ll
I*.***
s
CIO«S/«Ot.
•1.144
•7.Jit
74.111
•1.417
M.*47
11.147
41.17*
• (C~*241>/T,
CttOSSXt,
M.lt*
17.174
*7.l>3
71.111
7t.m
70.C24
74.171
•••J44,
CU/aH
0.
2*«l.
4141.
tiin.
77*41.
14474.
H»»l.
38-
rate m a n or
nu
taCW? OF
rOOMTIM,
Ut/aOt
-t*-nmi/T,
CIHS/BK
nuiiw.
uuw
11I47.
-»?»•*.
•tt*74.
•S1U3.
•14411.
•Z447*.
•1411*.
*l.4*l
ta*t.
KIT.
**.»»•
**.»«
*f.444
*».lll
4I.1S0
*l.4*l
t.
0.
t.
0.
0.
rtm.€
J.051 TKEtnaoniMic ru»ciions F O » aao* i £ i
EKTHKUCIUR (JtSMKCE, t K 5 S « 0 «
•OHO « « t . t , 0EG4EES
I i C»CII"2
OUAKtU* KEtCHI 3F S*0OK3 ST1IE OF • » »
H-6 STIKTCK FXE3UEKCT, H t ( t M S .
StWICHIItO FOIttE COHSTUT, mmrF/.WSSWOX
H-O-H K B 3 U S FU8BEBC*, IU-K SOS.
KNOINC FOICI C Q t S t U T , KITHE/MCSHS*
M£»T OF oissoeunoa i t j « « TO «<GI UD
2.***
liag.)
I.3132ME-3*
2.
f
2i
< nut
II.7SS251
( 277.1
ii.utin
tt«lll.
U
0 H « l , C»t/«3l.
ECUS CUWBT
REFEIElCC F « FtlE EMEKGT FUSTtlCRS F « G4SECUS
ttCKBT
15E0U5 ELEKIfT
IEFE4ENEC F « F<e£ EBE3G* OF FCtlMTICIl OF CKEOUS
CLEICR
7
7
rvncnoM F M u tacit....
•OMTeaie M S
e».
T C GUIS/VOL
M».
lie.
llll.
i»*.
t»~.
12. : «
«.%tl
11.112
ll.tt]
ik. »
i*.*t»
l k . •**
KM.
llll.
!»
iHiS/101.
11.11*
11.171
H.ltt
12.T*k
11.11*
•I.I2*
«2.1*t
-IG-K?*M/T.
GIMSf-M.
«.»*•
»».m
M.II2
71..W7
7<.l*l
77.1"
»».»«
H-KJW,
V»V/HOl
F«E tscnr &
FHIUTIW.
CK/aQL
-IS-HIV'/T.
•sw.
1.
ZSIh.
1112.
1SI2*.
ZZ»I.
2%M*.
Mill.
cms/an
*I.6S3
kl.2ZI
tl.tll
-1*112.
•uni.
-Mill.
u.ru
*5.IJi
-««*.
-I7WI.
*7.in
fcl.lkl
-*747l.
.
net
oner or
FOMTIM.
C1L/BK
»tn.
1M7*.
tmt.
tun.
u ai ..
i.
T i n t J . | « tKtnoorxwie ruacttao P M liaa H i
itmuet
I M U M I C t C U O I S T l K t t USSTMB*
Cft* M K C K C W l
It *«W"2
W M W K I « U or H N U ST»H OF u «
n-a siarte* ranoCBcr. M M M S .
SWTCHIHC rmet CMSTMT, WMF/IKCSTU*
a*»* Haaittc ntMOCT, u t t * • * .
• C M I a t I M t t W W I n T i H9mtYU£STMa
(2.1*11
HM.t
1.117MM-1I
i.
nt.
»
ii
iz.rimt
i *«••
II.HIMt
•en OF oinecutioB I T r w '» •«» CM I l t i u i . t
atFunct re* m i M m Factions FO> astovs a r a n
n r u n c c r a r*:c csticv •» FOMHIOB OF CIHOUS
a i m
ti
...FvaCTIOKS F M l » I K * . . . .
iTwae u s
S
m.
Ml.
IW.
MM.
llll.
«IHt/i«L
unvm
11.1*1
ll.lll
12.122
1J.HT
II.7*1
I7.M7
71.221
•t.117
•l.lll
11.712
11.117
I*.2«
1*.*2%
-H-HTHI/T.
•KHIIf
CU/not
•1.7*1
U.II2
IT .171
71.171
I*.11*
77.1*1
74.211
22W.
IMI.
1117*.
22M7.
Mill.
Mil*.
F « U n m r or
FMMTIOtt,
uu*»t
-17721.
-VIM.
-22U1.
-2X7».
•2***».
-an*.
-HlU.
39-
.
rue amcT OF
•It-BtMMT.
CtMSSML
FOCMTIH.
CttflK
*S.*M
I11H.
H2U.
7HII.
IHtl.
*»ll.
IH».
11711.
**.(!•
*t.M4
*l.72l
II.JH
11.711
I2-.I7I
TMIE 3.I5T
tME«HOOfHMIC FUUC.T0II5 FOR CEOH (SI
IEFE«HCE
UIEIRUCLEia OtSTMCE. «HGST«0»S
(2.111)
10110 " C l E i OEMEES
(110.1
X. fdf'Z
1.2S2lt2E-U
QUOTUM MEtCKT 3F CtOUX3 ST»TE OF • ! «•
a.
IHO SIKTC'I F«E3'JEKST, H»tt KOS.
I (.63.1
STKTCMMS FOKE SOMSTIHT. TOT1IE7FIIG4W ( 1 . 6 1 7 1 7 1
K-O-H K K 9 I I S MiOUEHCT, K1«E t O S .
I litlS.I
•EH0IH6 F O I C E c o x s r u n , naTKEr'KSTco"
(a.asiMt
H£J7 OF OIS3KMTXOM ST 2 4 1 * TO «CCI U 9
I 125III.I
OH(G>. C I L / t O l
•EFE3EMCE FCI R S EREIGY FUHCTIOKS F M G*S€OUS ELEHEKI
tCFESfjCE FC* F*SE E3IEXSV OF FOKNITIOH OF G»S£OUS ELEHEUT
58
44
.FUNCTIONS FOB ce IOEIL .
FOMTSHIC M S
T C
»>,
SUtS/rOL
m .
fK.
till.
till.
ZIII.
t»i.
m i .
11.2a
12.732
13.112
W.S4I
ifc.»«7
it.ztr
tk.ti*
TULE 3 . 0 1 -
s
otoas/>tot.
*3.klf
kl.SCJ
7I.2S1
•J.*k»
17.US
41.771
43.JII
-(G-H248I/T,
Gt«»S/<fOl
•;.«•;
kk.72*
k».53I
73.341
7*.1.71
?4<l»
11.71!
H-HIU,
ill/HOL
F8EE EMEIST OF
FOIHITIOI
ciifnai
•(C-K24II/T,
GIB8I/BCL
FREE EXEXGT OF
FOtMTICNa
MLSHSL
-14337.
-2B3I4.
-214.41.
-ZI71I.
-mil.
-USk2.
-mil.
»S.I|7
kt.tH
k9.tll
St.371
SJ.JI*
5k.4*S
56.3k*
•MM.
13132.
712kl.
(MM.
ktltl.
*3k47.
21411.
1.
23 I f .
1721.
1S3II.
22211.
24312.
U!t).
THEVHODYHMte FUKTIOMS FOI »«0M (Gl
INTMaUClE" OIStlNCEt t R S S n o n f
I2.MI)
•MO M H . E , OESt&SS
till.I
I t 6»CH»«l
l.tlllktr-M
OUUTW HEIGHT OF HOUND St H E OF » l "
4.
»-C StKTCH FKJ'Jt.TCT, HUE KOS.
I k!4.>
STtETCHlRG F O « 5 CMtSTMI. 'DIBE/JUG^HOI(2.l2k*l>
R-0-« UEROIU REQUENCVa *I«E W S .
I kjk.»
KHOtHC FO-'tt C04STMT, KOTne/lWSMO"
U.lkkSSl
MCM OF OISEOCIITIOH IT 2MK TO "(SI l « 1
I 12IIII.I
OMIC), S1L/40L
CCFESFJCE FOt R E E EltEMV FUNCTIONS TO GtSEOUS ELENEKT
ttFHEMCE F « R E E ENE?GT OF FOUUTION OF CtSfOUS ELEMENT
6*
21
.FUNCTIONS FOR PR IOEIL.
HOMITOHIC CIS
t K
IM.
ill.
lilt.
llll.
Mil.
ZMI.
III!.
C*.
6IMS/«9L
1 1 . •*>
12.It*
12.443
13.5*4
lk.3«
Ik.74k
Ik.k33
S
01313/101.
*3.34k
•4.«kl
71.112
•3.5*1
•7.SH
41.673
4 3 . MB
-(C-M711I/T,
CIB8S/-0L
13.34k
«k.7«2
64.»Ti|
73.32*
7E.34"
7F.4*«
31.127
H-H248,
CIL/HOL
1.
2214.
S6M.
153 J l .
222kl.
24313.
34*41.
40-
F4EE EHCtGT OF
FORHITtOVt
CIL/RCL
-31217.
-3«M4.
•31K7.
-331.2?.
•333M.
-331*0.
-32U2.
-JG-HMH/T.
CIS*4/H0L
kS.334
kS.43t
kS.147
SO.142
S1.M2
S2.SS4
S3.41k
FKEE cME«6T OF
FOKUTIOH.
CIL/HOL
73721.
inn.
SM7I.
«8l.l.
Ill15.
18471.
7131.
TABLE 3 . 3 5 5
THERKOOTHSHIC FUKCTIOIIS F 0 3 HOOH
(CI
IHTERHUCLEW D I S T A N C E , ANGSTROMS
12.0501
BONO ANGLE, OEWSES
(110.I
I , G»CH"2
1.1BS017E-35
QUANTUM HEIGHT 3F GR3UIID ST»TE Of H "
8.
H - 0 STRETCH FREQUENCY, HAVE KOS.
I 516.1
STRETCHING FORCE CONSTANT, XOTIIF/AIISSTROH
(2.263*61
H-O-H SEIIDIKG FREQUENCY, HAVE « 0 S .
I ".".6,1
6EH0IHG FOtCE COUSTAKT, HOTKE/sNGSTQCH
(0.01.9801
HEAT CF O I S S O C I A T I O H AT 29SK TO HCG) AHO
I 120000.1
0HCG1, CAL/HOL
REFEREHC* PCS R E E EHEHGY FUHTTIOHS FOR GASEOUS ELEMENT
REFEREHCE ^CR R t E EHE9GT OF FOBHATIOH OF GASEOUS 6LEKEHT
23
23
.FUHCTIOHS FOR NO IDEAL.
HOHATOHIC GAS
CP,
T K GIB8S/M0L
298.
500.
1000.
1600.
2110.
2500.
3000.
10.919
12.C91
12.972
i3.seo
13.997
lfc.761
It.. .30
TABLE 3 . 0 5 6
S
GIB9S/M0L
62.966
68.953
77.6*6
03.026
06.99*
90.Id8
92.76*
-IG-H2081/T,
GIHBS/XOL
62.066
6b.259
69.00b
72.835
75.930
76.**S
"0.620
H-H299,
CAL/HOL
FREE E1ERGT OF
FORMATION,
CAL/HOl
0.
23*7.
861.1.
15287.
22158.
29258.
361.33.
-16-H298).T,
GIBBS/HOL
FREE ENESGT OF
FORMATION,
CAL/HOL
1.5.21.0
1.5.870
1.8.21.0
50.210
51.770
53.0*0
54.101
68870.
63220.
1.9781.
37*08.
26300.
16101.
6171.
-3*969.
-36J31.
-378ia.
-37955.
-3657*.
-3*»99.
-31570.
THERMODYNAMIC FUNCTIONS FOR PHOH [G>
REFEREHCE
IMTEIMUCLEAR D I S T A N C E . ANGSTROMS
12.1201
BONO ANGLE, OEGREES
(181.)
I t G»CH"2
*.509S71E-J9
O.UMTUH HEIGHT O r GROUND STATE OF * 1 H
S.
H - 0 STRETCH FREQUENCY, HAVE HOS.
C 5*6.)
STRETCHING FORCE CONSTANT, HOVMESAHGSTROH
(2.5*2221
H-O-H BENOIHG FREQUENCY, UAtE NOS.
C *69.l
BEHOIHG FORCE CONSTANT, HDYKE/AHGSTROH
10.055931
HEAT OF D I S S O C I A T I O N AT 29BK TO HCGI AND
C 115191.>
OH 1 6 1 , CAL/MOL
REFERENCE FOR R E E ENERGY FUNCTIONS FO> GASEOUS ELEMENT
REFERENCE FCR R E E ENERGY OF FORMATION uF GASEOUS ELEMENT
61
EST
. F U N C T I O N S FOR FN I D E A L .
HOHATONIC GAS
T K
291.
511.
1111.
1511.
Zllt.
Kit.
3111.
CP,
GIBaS/NOL
11.739
12.117
12.9*7
13.569
13.951
i*.J57
lk.*27
S
Gli-BS/NOL
59.953
65.07*
7*.532
79.916
03.'72
67.025
69.6*1
-IG-H2991/T,
Giaas'Moi
59.953
61.230
65.939
69.752
72.111
75.3*7
77.517
H-H298,
CAL/HOL
1.
2322.
053*.
15231.
22128.
29195.
36369.
-41-
FREE ENERGY OF
FORMATION,
C1L/HCL
-IS-H29M/T,
GIBRS/KOL
-52312.
-51792.
-*73*3.
-*37*B.
-39*75.
-36156.
-23171.
(**.679>
1*5.366)
U7.9313
C50.126)
C51.6991
(53.171)
15*.2211
FREE ENERGY OF
FOMmOII,
C1L/ML
1
1
1
1
(
1
1
*5796.)
*219*.»
32*11.1
22251.1
12*31.1
1*2S.»
I.I
TSPLC
2.3S/
TM^a-aOTKa^lC
FL'V.irONS FO? SIOH
tO}
REFE^RCE
IiilEBnuCi:"
11.9991
BONO ailGLEi 3 E O > - f S
m o . i
I . G»CH"Z
1.127044E-U
?
ouiaTu* »E : o u o
G B C V I O s u t r O F », •
x-0
S f R E T C FRF3JEuC», iiCjF M0«.
c MO.I
SIBETCHJUS FO?C: ; 0 » S T J ' I I , « a r . 1 F / » G S T ? O I )
IJ.5f.170l
( 495.1
H - O - H BEMUIUG F?~guEMCY. KA i/E » C S .
(0.063111
BEMOIHS fosfit c o i s i i m , "ottiF/ewr.rTsox
( 110030.1
M E « I OF D I ' i : O C ! * r i D H M 2 9 9 » TO "CGI
tin
0-161, ;iL/HOL
REFEBFMTF FCR F?Et EUERGT F L U C ' I O I . S F O R G1SE0US E'-EKFUT
BEFEBEKCE FC"> F'EE EUE»GT CF F C P M T I O n OF G4SE0US ElEnEHT
r
#
23
. F U U T I O K S F 0 3 SI* T.0E9L.
ROatTaKtC CIS
CP,
<;
i K Giaes/rei
299.
500.
1000.
1500.
2000.
25003000.
iis-s/iou
r •-'.?
l b .<•?!.
3."5'
THE.ffODTSWIC
FREE EaEBST OF
FMMTIOH,
C1L/H0L
H-H298,
CIL/HOL
59.804
61.068
65.737
69.530
72.575
75.10*
77.272
59.839
65.oS?
74.?76
79.6*2
83.605
06.756
89.371
10.552
11.910
1 2 . >19
13.556
13.983
T»Bl'-
-|G-M2q9l/T,
GIPflS/^OL
-5203k.
-521.56.
-52103.
-49946.
-45838.
-32853.
-18537.
0.
2295.
"5*0.
15167.
22C60.
29123.
3629S.
FL'KCTIONS FOU EUOM
-IG-H298)/T,
GI»9?/tt01.
FREE ENERST OF
F08IUTI0M,
C*L/HCl
43.722
44.545
47,439
49.676
51.379
52.720
53.820
41317.
35062.
22941.
11351.
1248.
0.
0.
IGI
BEFF8FKCE
lHTERWClE" UiTstiCf,
BOtlD 3 H G I E , O E W i F S
3hGSTR0»5
(1.960)
(1*0.1
I, G»C«-'2
OUIUIUH
1.096041F-J9
U E K H I
3?
G*ouig
S M T F
rr
M
*
a.
« - 0 STRETCH F R F J j I H C t , mii
KOS.
STRETCHING FO«C~ C O d S f . ' l T , f n u F / C N G V e J "
H - O - H BEXOrfX F » - V J E H C Y , Bi-fE BOS.
BfMGIBG F03CT COSSTlhjT, B 1 T « / » I t r . S T R D i '
H E » T O F o i s s c r i c r i c i I T 2 9 8 « TO " ( G i « m
OHIGI, H l / l i l
•EFERESCE
FC»
F?:E
ENEBST
FACTIONS
CEFCAEIXF
FO!
F?SE
EFCERG*
C*
FCB
FOBHBT'IOU
I
61».l
(3.25156)
( 523.)
(1.07159)
< lasoio.t
GASEOUS
OF
EIEIGHT
GCSECUS
ELEHEBT
24
23
. F U S C T I C D S FOB EU I 0 E U . .
HOMTOMtC G»S
T «
19:.
500.
1O00.
1500.
2000.
2530.
3030.
CP,
GIUBS/Mll.
lC.'it
11.4C0
12.116
13.540
:?.°>4
14."46
14.4C0
5
GI3«/«0L
62.G68
61.535
76.934
02.2o4
66.224
e9.37»
41.998
-«G-M299)/T,
Ojqpe/«nL
F.2.C69
«3.soa
64.431
77.21?
75.234
77.759
70.919
H-H299,
S11/90L
0.
2264.
8478.
15094.
21981.
29041.
36211.
-42-
FREE EffiBGT OF
FC5H1TI0K,
Cll/HCl
-54S51.
-45031.
-55427.
-543SC.
-49502.
-39331.
•26544.
-(6-H7981/T,
GI3P9/R01
FREE ENEB.T OF
FOaiUTICH.
C1L/K0L
45.097
45.660
47.622
49.142
50.330
51.300
57.130
34212.
29100.
17128.
6947.
0.
0.
0.
T4EIE J.053
IHE«H0I)'"'«IC FUHCTIDHS F05 GOO" i'C>
REFRFiCE
INTERSUCI.f.I'J 0I3T8WCE. JliSSTSOfS
12.1091
•OMB « « ! . £ , 0?G?;TS
C1«0.»
I , G»CH«2
6.3700816-19
QMHTUH HEIGHT OF GROUND S t a t e OF . 1 «
e.
H-0 STRETCH FW2JEHCT. « « UBS.
I 459. >
STRETCHING FO*K CONST W i HOTtlS/JIIGSTOIH
(1,892851
K-O-H t f c s i E O R E a i s s C Y , M * ? H O S .
f *ii.s
6EKDINC FOME CO-SHUT, MMrfcE/lSSWO*
I0.C414ZI
HE»T CF OISSOCIiriC!l ST 298« TO "«6J «H1
I 128099.1
01-CGI, I S t / S O l .
REFERENCE FC» F*EE EHERST FURCTIOHS FOP G»S=01S ElEliEIIT
REFERENCE FCR REE EHEBU* CF FCBM4TTCH OF G»S60US FJ.ETJ.1
Zl
21.
61
• Fim;TICKS FOR CB I O C H . .
HOMTamc u s
T c
c,
GI98S/H0L
298.
11.167
500.
12.21*
10IC.
13.0(7
1510.
13.596
ZDOD. 1 4 . M 6
2500.
14.267
sail.
11.434
TULE I . J63
s
OlB9S/'OL
-IG-H294IT•
GIBP5/401
61.7J8
67.831
76.562
S1.9S2
S5.9?»
f.t.r»«
63.051.
47.85?
71.70S
74.7'7
s9.a«c
70.522
91.697
rr.iki
H-B29»i
Cil/HOl
FUEE EHTRGT CF
FOrflttTIORt
ru/na
P.
-21178.
-21210.
-21111.
-ZH17.
-2813*.
•WM.
-18771.
i«s.
«7ii.
15368.
22275.
2<>348.
SI5Z*.
-ta-Krmn,
cu«s/nat.
46.423
47.188
(.4.(91
Sl.»7»
S3.ll*
S4.HI
*5.22»
FCCE ENCRCT 1
FMWTIOM,
CU/ftOl
ausz.
7(25*.
mn,
I1IH.
3H81.
2*214.
12114.
THEftXdBTRMIC FUNCTIONS FOR TBO* ISI
•EFREacE
I T I R H M I E I I 0IST8NCE. ANGSTROMS
•WO 8NGLC, OEGtECS
I i G»C*"2
OUMTtM HETCHT OF GRWM0 STITE OF »1 II
H-0 STRETCH FRQUEHCV, | l » f l M S .
STRETCHING TOG COHSTMTt HOTRE/UKSTROH
H-O-H a n t a i t s FtexucaBU « » « E W S »
•ENDIR6 FOICE C 0 W 8 K T , NOYNE/INSSTROll
HE»T OF DISSOCIATION »T 296IC TO BI6J MO
OHiei. UL/noi.
t2.87B>
1118.1
1.222388E-JS
17.
I 495.1
IMWII
t KXUX
18.846281
I lZfaia.I
REFERENCE -CR FtSE EMERfiT FUNCTIONS FOR H S E 0 8 S ELEMENT
REFERENCE FCR R E E ENERGY CF FORUTIOM Of C t S t W S ELEHENT
21
68
61
•FUNCTIONS FOR T i I 0 E H . .
•OtUTOXIC S «
CP,
T K GIBBS/KH.
298.
511.
Mil.
191*.
2IIB.
ZHI.
3118.
11.-21
12. U S
12.«37
I S . ' 87
14.8C1
14.261
14.43?
S
stass/toi
64.925
76.95*
79.6*6
85.1"
89.822
92.1"
9I..793
-IC-H29BI/T,
CI8B5/"Ol
64.425
66.Z2S
7B.9K
74.838
77.404
60.458
82.635
H-H298.
C1L/ROL
a.
2363.
5872.
15322.
22227.
29298.
16474.
-43-
FREE ENER6T OF
FORH4TIW,
CIL/HCl
-23748.
-24164.
•2*149.
-25728.
-26223.
-24478.
•24893.
-I6-HHII/T,
CHBVftM.
48.552
49.212
51.5*7
53.3Z1
54.767
55.964
56.984
FREE EWER6T OF
FORMTION,
ttumi
7969t.
7*411.
•11*6.
47972.
34718.
23143.
11241.
T»BL£ 3 . 0 M
IHFBHOBr»MIC FuWTIOHS F0* DTOH ICI
(EFEXENCF
IHTEMUCLE'F o n i M C E i
HNB WKLEi OEGKES
I i ««C»»«2
(NGStlOKS
eoiaiun VEICHT or citDum SIKE tr «
12.0*11
IKI.I
i.i9e*et*-3s
.
«*0 STKETCK FH£1UEHC». "»»E SOS.
STIETCMIN& FOtK CDHSIIXJ. "OIHf/IKCStUOII
II-O-H « « o i i * mounter, U«E «OS.
21
I 523.1
12.351631
« *SJ.»
C0.t517*l
« 119139.1
»E*OIBS rOICE COSSTIWT, K 3 m / M G S T « 0 »
HE«T OF OISSOCHUO* » ' 2 9 8 * t o "CCJ U 3
OctB>, C4L/X01
(EFEtEaEC FC* R £ E £ « » 6 » FUBTTIOKS f « GtSECUS ELEHENT
KEFESENCE FGI REE EHE9ST OF FCSIUTZCB OF GASEOUS ElEKEBT
60
.nnerioas FO« or i o e « . . . .
KMTSDZC SIS
CT,
GUIS/ML
Z9*.
fll.
till,
lfll.
Zltl.
»ll.
IHI.
II.5*1
12.411
12.9*5
11.177
13.9*5
!«.?€•
1«.*29
"HE
3.462
GIBK/HOL
**.**1
71.111
79.*9Z
•*.»7i
••••31
11. HZ
9*.(IS
-IG-H29S1/T,
SHaS/HOL
tt.ltl
66.129
71.16*
74.64I
77.753
11.2*6
•2.*6»
H-H29I,
CU/KOL
FREE enrtsr OF
I.
23*1.
HZI.
ISZ71.
ZZ17Z.
2*Z*I.
3**15.
FCJM7I0H.
CU./BB.
-(C-HZtll/T,
GISSVHOl
•WS*S.
-33**3.
-36636.
•1W1.
-11*31.
-36119.
-33KI.
*6.r«*
*7.SJ7
*9.3Z*
51.17*
57.11*
53.167
5*.176
FME CEEUT OF
F04MTI0N,
CU/IUl
i!HI.
IHII.
*16!l.
Z«t».
17»J».
7»*#.
I.
TKE3H00MUHIC FuaCTIOHS F0» HOOH ICI
REFE2FNRE
INTt«*UClC3R QCSruCE. «HGSUO«J
•ODD ANCLE, OEGUES
It 6»Ot"2
WMTUM HEIGHT 9F C<01N0 St»TE OF n w
•1-0 SKETCH F*F1U£«CT, UVE BOS.
STCCTCHIHe rOUCE CONSTANT, rO»NE/A*GST»0»l
"*0*W BCHDXAG REQUEMCT, HAVE BOS.
KMOMC Towtt toasiMt,
rmmttmnxvK
12.1111
tial.j
*.5l5328E-3*
17.
I 55*.I
'2.6*5271
I 477.1
I1.5117Q)
BCAT OF SISSOCnTZON AT Z 9 M TO *CGI INO
0H1SI, <UL/"tOi.
" U f E S E J " * " 3 f«£»S» FWCTIOHS FOP (BSEOUS ELEMENT
K F U O C E F « REE ElCRCT OF FMMTION OF WSEOUS O E | ! E I I I
21
i mm.)
73
23
.FulBTtOMS F0* HO IDEAL.
IR}M(TO>IIC GAS
T K
ZM.
511.
lilt.
1511.
ZHI.
2511.
3111.
CP,
GIMS/ML
S
G*BBS/*OL
-<G-HZ9*I/T
GIMS/HOL
ll.nBS
U.9II
12.939
13.565
11.921
lt.255
1«.*26
62.63*
69.S3S
77.182
B2.«5*
16.519
69.671
92.Z96
62.63*
63.916
6*.E0h
72.*12
75.*6*
7B.aai
•0.170
S
H-HZ9S,
C1L/H0L
I.
231*.
1575.
15213.
221B9.
29175.
363*8.
-44-
FREE CNEBCr OF
FOMAUON,
CAL/HCL
-29983.
-30771.
-3211*.
-32SB7.
-3217*.
•3116*.
-27093.
-IG-HZ9IIST,
GISWItOL
F«£E ENEftCT OF
FOUtnOH,
ML/VOL
46.718
*7.Z81
*9.Z**
50.77*
51.91*
52.999
53.166
63317.
5759S.
*3992.
31867.
19581.
9251.
I.
TJBLE 3 . JM
THE«nOi>lill«!Hr FIJWIICKS F M E«OH ICI
HfMlKt
IKTEiMUClCJ* O l S M K E , «IISST»0>*
II.Jill
uiig utcte, OE«CSS
ctss.i
It S»W»2
1.12T771F-M
QUUttU* HEIGHT OF U 9 U I 9 S t H E OF • ! »
Ik.
• • 0 STRETCH FHO'JEHCl, M»*E « 0 S .
C 5*9.1
STIETCHIKC FOKS C O » t I » S t , «gYKF/MSST*OH
(2.9S949I
H-O-H K l O I l G F^aUEHCT. Hi<E M S .
t 59t.l
s e s a m e F U S E r a u T u r . nir>«/t)esT«oi>
it.ctVM
HUT bF OI-.HCUtlOH M 24IC TO "(CI H I
t ziiiSS.S
0 M 6 J . S1L/KCL
REFUEaCE FOR F « E &SRGT FUNCTIONS FOR CSStOTS CLEMENT
REFERENCE FOR F*EE EMESGT OF FOUMTIO* OF CASEOUS ElE«E«T
JJ
23
23
.FUHCT10M5 FOR E l lOEtL.
T K
c».
GUtSSKOL
Ml.
SQI.
1*11.
Mil.
2111.
Z5H.
Hit.
U.IC1
u. in
lZ.fl*
13.351
13.911
I k . 251
lk.(.23
TMLE 3 . O K
S
GIS3SS1GI
63.411
69.'26
79.732
(3.695
IMS?
9a.tat
93.t23
-10-MMI/T.
CI6!S/"0l
63.««t
M.1S5
69.11*
73.999
76.62*
79,1*8
31.332
i f K291»
CU./KOL
" l £ £ Mf«CT OF
FCJUUTI09,
CIWJIOl
t.
•2(493.
-277|k.
•Z97tt.
-31169.
-31T91.
-IB«35.
•29117.
2215.
1522.
151*6.
22937.
291*1.
36271.
enss/roi.
F«IE O U S T OF
Ft EMTIO*.
C1VML
k*.3*7
t M U
•riK.
*i*7s.
•CC-H29M/T,
*75U.
HIM.
*9.*r*
5«.*K
51.62*
57.6*1
i i . i n
tnn.
KM».
772J.
THERKOBTMMC FukSTIOHS FOR TNQH ( S I
REFERENCE
IHMMICLEM OtSHHCE. USSTROHS
MHO H U E , OtWttS
(1.9SII
till.I
I , C'CH**!
1.196S19E-31
OAMKTUM HEIGHT GF CROUKO ST1TE OF *l H
9.
tt-0 STRcTCH FRESOCHCT, IU«E M S .
C« T .>
STKETCMIKC TOUtS CONSTANT, •QTNE/lKSTROn
C3.39T19I
IWMI SENDING nEQUEHCT, H » « NOS.
I 533.>
B E M H W Fostt CONSTANT navic/*assT<OH
<e.(7*7*>
HUT OF DISSOCIATION AT 299K TO I I S ! AND
I IMfll.)
OHlSl. Clt/MH.
REFERENCE FOR R E E EXCKV FUNCTIONS FOR CASEOUS ELEMENT
REFERENCE FCR F U E ENERGT OF FORMATION OF CASEOUS ELEMENT
t
21
.FUNCTIONS FOR M I D E A L . . . .
HOHlTSalC CIS
CP,
T K GIBBS/MM.
29t.
ti.zet
511.
till.
1511.
2111.
2511.
5111.
U.76*
12.175
13.935
13.971
l*.Zk*
1*.*19
S
GIBBS/NH.
62.792
69.533
77.191
S2.**b
S6.613
19.552
92.166
-IG-HI9M/T,
GIBBS/tot
62.792
6fc.«26
M.633
72.398
T5.*25
77.9*6
80.115
H-H299,
ML/HOI
i.
2253.
BkSt.
15071.
21955.
2911*.
36193.
45-
FREE ENERGY OF
FORMATION!
CAL/HOL
>*15F*.
•«2361.
-k3S52.
-ttrat.
•kk6!2.
-37MS.
-E61k1.
• (G-M2991/T,
etB"S/MOC.
kS.k«
kS.9l'S
hT.9I7
k9.«5S
50.6*3
51.627
5Z.M2
.
FUEI EHEKGT OF
FORMTXON,
C1L/ML
k7232.
kUZJ.
21591.
16192.
k576.
«.
0.
TlELt 3.363
THERHOOYN«HIC FwCTIOHS FOR YSOH (CI
REFEREHCE
IKTERHUCLE» OIST1HCE, 6HGST«0«S
•010 M C l E t 0EGR-TES
(1.920)
I1M.I
if C>CH»:
i.os6i2se-J«
0.U1HTUH WEIGHT 3F GROUHO ST61E OF . 1 M
2.
H-0 STRETCH FRE1-JEHCY, H1«E HOS.
( 678.)
STRETCHING FOSK COMSTMT, "OIKE/JUGStlCf
(3.11179)
H - 0 - * 8CNOIHG REQUEHCY, H«»E DOS.
( SU.I
SEKOINS FORCE COWSM6T. «lOT«S/iKGST»OH
(}.IIS«t)
HEM OF OlSSCCItTIOH »T J98« TO H(CI U 9
C 109199.)
uriCGS f S « L / ^ b
REFERENCE FOR R l £ EHERGV FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE CB F?££ ENERGY OF FOPH1TIOH OF GISEOUS ELEMENT
r
26
23
.FBMCTOCKS FOR T l IDEAL.
HOMTOXIC CIS
CF,
T K GIBSS/TOL
298.
Sll.
tl.!SB
11.633
mi.
1511.
Zlll.
Z5II.
30BQ.
i2.«»
13.516
13.1(1
16.238
16.616
T461E 3.36=
5
Glass/HOI
59.617
65.263
73.766
7S.168
03.162
86.216
II.IZZ
-IG-«9S>/T,
GI«1S/»0L
H-H29J.
C6L/H0L
59.617
e.
to.az*
65.381
2217.
8385.
16913.
21661.
26916.
36112.
69.119
71.13?
76.663
76.795
FREE EHERGV OF
FOMlTIOHt
C6L/H0L
-55715.
-S659I.
-57968.
-57111.
-ht.rt.
•36665.
-Z3685.
-IG-H29M/T,
GtSKS/ML
FREE ENERGY OF
FOWUTIOH,
CU/HOL
61.352
6 1 . 915
1(3.177
65.3*7
66.591
67.961
68.361
2(215.
22915.
10298.
1.
1.
1.
1.
THi^xOOTHinir FUHTIONS FO* LUOH (G)
INTERHUCLEtP OI3THNCE, 6HG5TR0HS
(1.918)
SOW INGLE, DEGREES
(168.)
I , G«CH«2
1.865366E-39
ClMHTOH HEIGHT OF GROUHO ST«TE OF <1 H
1.
H-0 STRETCH FREQUENCY. HIKE HOS.
( 701.)
STRETCHING FO*Ct CONSTANT, rQTME/lHGSTSOH (6.257S9)
H-O-H BENDING F^'OUENCT, H1«E K0«.
( 598.1
BEMOING FOICF CO'ISTIMT. HOTME/IHGSTROH
(9.89366)
HE6T OF OISSOCHUOH AT 299K TO HIG) M a
C 128818.)
OHCGI, CILyHOL
REFERENCE TOR Ft I E EMERGT FUHCTIOHS FOR G6SECUS ELEMENT
REFEREKE FOR R S £HERSY OF FORH1TION OF GISEOUS ELEHEHT
23
S3
.FUNCTIONS FOR LU t O E I L .
rQXlTOXIC G«S
CP,
T K GIBBS/COL
Z98.
588.
1888.
1569.
2688.
2568.
3000.
9.166
11.536
12.8*3
13.582
13.152
16.232
16.610
S
GIBtS/HOL
58.192
61.678
72.16E
77.1.73
(1.626
86.570
87.182
-CG-H295)/T,
GIBHS/HOL
58.192
59.296
63.810
67.523
70.529
73.irs
75.185
H-H29B,
CIL/MOL
6.
2191.
9330.
16S1S.
21791.
28862.
36086.
-46-
FREE EHERGT OF
FORHATION,
-IS-H298I/T,
C'l/HOL
6IB5S/H01
•18863.
-11868.
•12876.
•16123.
-1657*.
-13302.
-11613.
66.152
66.713
66.836
69.688
50.019
51.177
52.159
FREE ENERGY OF
FORIUTICKt
MLS POL
92671.
86368.
70858.
55685.
611*6.
28225.
15838.
TABLE 3.367
IHERl-ODTKiJIIC FuKCTIOHS FOR HFOH IG>
REFERENCE
IHTERNUCLEK1 9I5TAHCE, AfcGSTROKS
BONO INGLE, 0 £ M £ £ S
I l ' H ' K t 3 « 3 • CH«6
(1.49(1
(120.»
9.832549-117
GUAHTUH HEIGHT OF GSOUKO STATE OF • ! •
H - 0 STRETCH F R E T J E K C V , « » J E H O S .
STRETCHING F O R K C O N S T A N T , WOYHE/ANGSTRO*
H - O - H BEMDTKG R E O . U E H E Y , HAYE " O S .
BENDING FORCE C O N S T A N T , IPJYAE/AHGSTBON
L>.
( 701.1
(4.25759)
I16S1.I
(0.689651
HEAT OF OISEQCIATIOH IT 298« TO «IG> 1MQ
( lfcj»0g.l
OHIGI, S&L/HOL
REFERENCE FCR REE EKtRGY FUNCTIONS FOR GASSOES ElcBENT
REFESLUTE FOR REE ESERGT OF FGRHATION OF GASEOUS ELEMENT
23
23
.FUNCTIONS FOR HF I O E I L . . . .
PONATDNIC CIS
.
»,
T K 1lsas/«ii
! . lit
9.515
11.-53
12.rti.
12.112
13.142
13. ms
29».
500.
ioec.
1500.
2000.
2500.
3000.
TABLE 3.065
s
• {G-H299IST,
GIBIS/IOL
64.301
63.111.
7 6 . 144
90.935
84.545
87.442
59.655
64.001
*5.04D
65.925
7?.173
7k.933
77.07";
79,010
GIBBS/HOL
H-H298,
CAJ./HOL
FREE ENSRGY OF
FOJiaTIOH,
CIl/XOL
-CC-HJ9M/T,
E i i n m i
U465.
10954.
6139.
219T.
•lilt.
•33*1.
-3999.
44.642
45.2I»
47.2(5
49.189
50.472
51.719
52.799
0.
1587.
7219.
13142.
191.23.
£5915.
3254V.
FREE ENERGY OF
FORMATION.
CAL/HK
1IT794.
111)11.
11444*.
init.
•2316.
»MtT.
fHtl.
THERHOOYNAKIC FUNCTIONS FOR TtOH (Gl
REFERENCE
IHTERNUCLE1B DISTANCE, AHGSTROHS
(1.8511
BONO ANGLE, DEGREES
(120.1
I1"I2»I3, G"3 • CH«6
0.872955-117
QUANTUM NE GHT OF GROUND STATE OF H H
3.
H-0 STRETCH FREQUENCY, HAVE « 0 S .
( 791.1
STRETCHING FORCE CONSTANT, NOTRE/ANGSTROM
(5.433721
H-O-H BEKOING RSQ.UEHCY, HAVE KQS.
(17BT.I
BEHOING FORCE CONSTANT, HUYNE/AHGSTROM
(0.8«!26l
HEAT OF OISEOCIATIOH AT 29SK TO MCG1 AND
( 130103.1
OHCGI, CAL/HOL
REFERENCE FOR R E E ENERGY FUHCTTONS FOR GASEOUS ELEMENT
REFERENCE FCR R E E ENERGY OF FORMATION OF GASEOUS ELEMENT
T
23
23
.FUMC.T.OXS FOR TA I DEAL.
"OHATONIC GAS
T K
298.
511.
1010.
1510.
2000.
2500.
3000.
CP,
GIBBS/HOL
8.141
9.578
11.189
12.171
12.754
13.103
13.321
S
GIBBS/NOL
63.270
67.971
75.152
79.891
83.479
86.366
Sn.776
-(C-H29J1/T,
GIB9S/K0L
63.279
64.254
68.892
71.271
73.892
76.109
78.024
H-H29B,
CAL/NOL
0.
1643.
7C70.
12930.
19174.
25646.
32256.
-47-
FREE ENERGY OF
FORMATION,
CAL/KOL
-CG-H2981/T,
GIBBS/ML
62*41.
68011.
55172.
51182.
47701.
44586.
41928.
44.241
44.812
46.938
49.775
50.326
51.656
52.826
FREE ENERGY OF
F0RMTXON,
CAL/ML
176667.
169314.
153162.
136343.
119521.
112602.
65612.
TABLE 3 . 0 6 9
THERnODTHMlr FmCTIOHS FOX K8»
161
i m u w c t E t i o i s r i a c E , AMCSIROXS
1.031
•CND ANCLE, 0EC3EES
(128.1
Il'Il'IJ, 6"S • Cn«*
•.52*1*2-117
CjUMTUH HEISHI OF 4H0UK0 « « £ OF 11 II
ICO S T S T O - FK3IKHCT, Wȣ 8 0 5 .
72*.
STREfCHINS FORK CONST WT a «D»KF/MGSTRO» <fc.S03*2t
H-Q-H tEKOINC FtfQUEHCT, H ( E RDS.
I16IL.I
K N S I N S FOI.CE cansxtin,
Karic/ABCSTRon
10.7*2101
HMI OF DISSOCIATION «T ( U ( TO NtCI ABO
< IISUG.I
OHISlt CAL/WOL
REFERENCE FOR R K E « * S T FUNCTIONS FOR 6ASE0BS
ELEUfNT
sous Eiemm
REFERENCE TCR F*E£ CHCKSY OF FOMUTIOM OF CASEOUS
AStOUS ELEMENT
T
z.
z»7
7
7
FUNCTIONS r e *
H tocu.%
aoiurMie c«s
SIMS/ICL
ZM.
Sll.
•.775
9.759
11.321
12.2*7
12.114
13.135
13.3*3
1111.
1*11.
ZHt.
3111.
TABLE 3 . 1 7 3
CIBBS/HOL
02.533
67.317
7*.61*
79.39*
•J.Ill
*§.*97
11.111
-I6-H2991/T,
6IMS/«3l
62.933
U.IK
67.Ol
70.6*5
73.314
7f.»»2
77.*I3
H-«S»t
CRL/NDL
FREE (NERC* OF
FCRMTIONi
CIV/HOI
tin*.
iiuit.
03*30.
1.
117k.
5-HJ.
131*6.
19371.
231*1.
32*0*.
•CS-HMil/T,
cm?/fltt
»i.**i
61.1*7
**.7«2
*T.«I
7***1,
7*292.
71111.
6*67*.
ot.ZIf
ft.trs
*2.»9*
FREE U C M T OF
FeRMTtea,
cuiw
1917*1.
m*7i.
1(7«».
If1206.
11ZII9.
1*1*9*.
«ST3».
THERKOOTNWK FURCTIOHS FOR REOH 161
REFERENCE
IRTERNUCLEAR O l S t « , « £ , AKS1R0NS
ll.UI>
BONO AHU.E, 0EGUE5
(III.I
Il*XZ*X3i G « 3 • S N " 6
B.91*77*~lir
QUANTUM MEICHT OF CROUftO STATE OF M «
7.
H-0 STRETCH FREQUENCY, NA« DOS.
I Ml.)
STRETCHING FORCE CONSTANT. 10TNF/AW.ST90".
(5.*l]72l
K-0»H BENDING rREaUEMST, U « E NOS.
(1797.)
tEHDIMS FORCE CONSTANT, HOTkE/ANGSTROM
(9.1*121)
HUT OF CI5S0CIATI0H IT 2 9 M TO H « l ANQ
I llllll.)
OH ( S i t C1L/H0L
REFERENCE F d t R E E ENERGY FUNCTIONS FOR CASEOUS ELEMENT
REFEREK*E FOR R E E EME«CT OF FORNATIOM OF GASEOUS ELEMENT
23
13
.FUNCTIONS F0» RE I D E A L . . .
HQKATONIC CAS
T K
241.
Sit.
MOB.
1511.
a n .
2Sil.
JIBS.
c».
GTBBSrrQl.
8.6*2
9.*79
11.190
12.171
12.75*
13.113
13.321
S
oisas/noL
65.037
69.739
7*.920
11.660
85.3*1
SS.135
98.545
-IG-H299I/T,
CmS/HOL
65.137
66.192
69.85D
73.139
75.461
77.874
79.79?
H'HZBBi
CAL/MOL
1.
1**5.
7I7B.
12931.
19175.
256*7.
32257.
-48-
FREE ENERSY OF
FClnlTION,
CAL/HOL
-I6-H29BI/T,
GI99S/N0L
91111.
97*13.
AlSS*.
762*9.
716Z*.
67*93.
63392.
*5.13l
tS.TO*
*7.67B
*9.16l
50.361
91.3*0
52.171
FREE tNERSr OF
FOCUTICN.
CAL/r.Cl
175291.
1691*5.
15»1B.
133*(5.
11S9ZI.
101721.
I*9*B.
T m c J.an
iKECiooTkuur FinrTICKS r n
oso» ICI
nrrEtracE
iaTERBUClEA* DISTANCE, AMCS«0*S
11.1711
M M " S i t , OECttES
1121.1
I l * I 2 * I ] , c«*J * cn*«»
1.JIH7J-117
OUAN.'l* KEICHT OF CMBBS STATE OF • ! •
18.
H-0 STRETCH FRntfcOCTt W ( E « 0 5 .
I HI. I
STUTCHIie FORK CONSTANT. N0TK/AaSST«0H
I*.*****!
«•«•»» KnatHC R M U E N C T . « « £ ® s .
UTII.I
K M I R C FO'CE C9*ST4HT KSYBE/AIIGST40K
(1.7*6*1)
HEAT OF OISSSCIATtOB AT I U ( TO « ( « AHO I
9£|||,l
OMfS), CAWHOl
REFEREaCE FOB R s E ENTSSt FUNCTIONS FOR CASEOUS ELEMENT
REFERENCE F C « R E E EKE'GT OF F c t x A l I o a OF 6ASECUS El£*EaT
Zt
t
«
15
.FUNCTIONS F « e s I D E A L . . . .
NeaaTtBIC CAS
.
T K
Ml.
til.
Sill.
Mil.
fit*.
»ci.
Ull.
c».
ClUS/rOl
1.7 J*
%.%n
U.7AI
tt.lll
II.Tlf
is. t a
13.331
TAKE J.AT?
s
CIIIS/WL
•S.Hfc
ri.su
77.R7S
•2.6*1.
66.231
19.1M
«1.S*2
•IC-HIMI/t,
CIMS/"0l
•S.««*
l*.9Il
71.7*6
7S.M1
76.5*1
7A.I7*
I9.7*«
*CALS*Cl
««,
FREE r a t t e r OF
FOTKAIIMi
CAWH&
»«»••
1.
USE.
TlSJ.
r»n*.
EITSZ.
a:n.
FREE c a t t t r O F
FOtMUCN,
cn*s/i«x
CAL/HRL
M.III
*6.»6»
**.SS*
SI.173
si.ss*
M.47T
f*.MT
«us*
9IS1T.
12531.
urn.
suit.
-CS-HTtlWT,
JMM.
6E62F.
I ; H I I .
MUM.
1*«TH.
i m » .
i i n n .
fHtt.
IMSt.
TMERHOOYNAltlC FOKCTIOaS FOR »OM (SI
REFERENCE
IHTERJNU.EAR DISTANCE, AKSSTSOflS
11.Ml)
MM AattE, OCGTEES
IIII.I
I , s>ca*>z
I.HSIHE-JI
QgANTWI HEICKT OF CROUNO STATE OF »1 H
117.1
B-0 STRETCH FRE9UENCT, NAVE NBS.
I
7».l
STRETCHIHC FORCE CONSTANT i MOYHFSABSSTROR Ct.MSHi
« • > « tc*olag F u a i n c v i HAVE NCS.
t «<s.i
•ENUNS roRCE CONSTANT, HSTBE/ABSSTIOM
II.IIUi!
HEAT OF SISSOClATiiON AT 2MK TO MSI ABO
I I1IIS.I
OHICI. CIL/XOL
REFERENCE FOR REE EMC ACT FUNCTIWtS F0« GASEOUS ELEMENT
REFERENCE FOR REE OtERSY OF FORMATION OF CASEOUS ElEaEKT
EI
Z»
.FUNCTIONS FOR IR IDEAL.
FOHATOHIC SAS
T K
tit.
511.
llll.
«ll.
Mil.
Ull.
m i .
P i
CUBS/BEL
9.9*6
IS.,15
12.7AA
13.*9*
13.9*8
16.231
i«.*i9
s
SIBBS/aOL
63.91*
69.ASS
77.89*
83.222
'«7.171
91.317
92.928
•IG-M299I/T.
cxaas/aoi
63.911
KS.S97
69.991
73.299
76.21*
7S.79S
64.939
«-M9i»
CAL/NOL
a.
2171.
8303.
1*196.
21756.
28M5.
35564.
FREE ENERGY OF
FORMATION.
etl/NCL
-IC-HZtll/T.
GIRtS/ML
1*922.
J19«.
7S32I.
69174.
63*31.
5896*.
S3&91.
66.256
66.619
6S.S17
50.652
51.ASS
52.955
53.965
FREE ENERGY OF
FORMTIOX.
CAt/Ml
l^tTAS.
1*1161.
1MA*I.
11*161.
17111.
MSSI.
SZSCS,
49I
u u f i.tri
tn««OT«"ir riKfticmj ro» visa IGI
RtFCMttC
IBTHMUCLCl* O l t r i k C E , HCSWOXS
•ORO * « C « . OEHTtS
I , G»C*"i
11.1111
1183.1
1.M111ZF-3I
outktw trttCHt SF etsum s»«u c» •« «
».
H>S SIRETCK rREWMC*, m«£ gas.
t ttz.i
sntttHiac FORK CSMSIMI, •«stu/*s«ReB <%.itnti
KMOIMC Fe-ct C3«tuit, R3T«/ue»*e«
CR.IMMI
HMT OF OZSIKItHO* »I Z«( TO * f » » } I 71111.1
OBCCt. UUtSL
RtracaBE FOR mt ERC*S< FUBCHOSS F « w s t o w eit*r«r
z<
zi
tiracicF FCR rise BURST CF FMKJTICR OF CIIIOUS <U«CRI
D
.....Fineness re* M I O C * . . . .
ROHISRle C*S
CF,
T K CIHS/FSl
zti.
tn.
tin.
till.
till.
«.«»
it.*«
iz.ui
13.S11
1J.W
»I lnl l. .
t*.«*
I t . .12
s
cists/m
*z.»7
67.672
7t.t*7
•l.*w
•S.ui
U.MS
M.ZW
-tC-KZRM/T,
eins/FSi.
67.857
6J.U1
»?.»«
7i.S»
r*.JS3
77 . l l i l
7».M1
K«l««l»
CU/Kl
FREE CRCRSF OF
FO*UTX(Hf,
C*i/«X.
7»»7l'.
68*13.
i*M.
J«l*.
t.
Hit.
Hit.
1H5*.
«l».
21113.
»tt«.
-«C-M?1IJ/t.
CHR/ati
6f.«U
66.618
6«.»M
fF.tM
fZ.SK
*I.*»t
16.M3
«!»*•
*»*T.
»ut».
FREE (REACT OF
FORMIXM,
C1UMK
tttZH.
I I M h
tttZl.
«l*».
ttZZt.
*M1*.
33*21.
THIS j . s r . tHSRitaDmuic Futcrioas FOR IUBH est
RfFMtttf
IMTEftttUCtCl* 3IST8NCE, (HG5TR0K5
HMD U C I E , BSGt°£S
I> C»CM»»I
QMNTUR KEICHI jF cRoum sure OF »t •
(1.R28I
1151.1
1.073766E-38
i.
H-0 STRETCH FRHUFNCT, B»*£ KOS.
C **».)
ST*£TCMIM FO*K CO*SUHT, •BTHr/UE^TROn
II.111701
H-O-H UHOTIG FUauCNCYi * » « " 0 ? .
I 566.)
K l t n l u s FORK CSISTIMTt ROTRE/IHCST^K
(I.IISmi
HE»T OF OISSOCKTIOH AT ZM< TO MISI MO I 6 5 8 1 J . )
OiKCi, C81/40L
REFERENCE TOR n £ E EHEF.GT FORCTIGHS FOR GtSEOUS ELEMENT
REFERENCE FCR F*SE ENERGY OF FOPfltTlOfe OF GASEOUS ELEHEBT
21
?3
.FuacTlans FOR »u IOEM..
romtanic MS
C".
T K GIBBS/IUL
291.
SCI.
till.
1511.
ZIII.
2S88.
3010.
10.157
11.637
tZ.'16
13.517
13.461
It.^38
!<.. 1.11.
/
s
-I6-H79M/T,
GIBBS/XOL
H-M298,
CtL/HOL
58.612
66.261
72.766
73.109
82.063
85.211
87.823
5«.61Z
59.823
6k.379
68.118
71.131
7*.643
7F.705
2219.
8388.
H.987.
S186S.
28920.
36086.
GI3BS/H0L
*.
-50-
FREE E«RCT OF
FMHUtOM,
CILFM0L
-1C-HMII/T,
GHRS/ML
Zf«67.
28333.
25679.
Z33»fc.
23017.
22*77.
22187.
«3.1Z8
63.683
05.6S6
»7.165
48.356
*o,3*«
55.187
FREE ENERGY OF
FORMUCN.
CIL/ML
77821.
71661.
56158.
'1*91.
28298.
15128.
2118.
tuic
».«7»
iufntontmc
ruBCMOn? r o « n&o* I & I
IEFE«fB^E
IHTUXUClCtt OIltJuCE, U > « t « c » S
I2.MII
HM) inciE. OEGITCS
int.i
n-o siuiC'i FREWEHC*. « « not.
STKTCMIH& FOWI ee»s»*sT, wEr/tsssTtd*
m.
IJ.IIMJI
I, C*CK"2
tWMVI HC3CMT 3' C»OU« Sltlf OF .1 a
1.155H5f-!«
2.
n-o-ii KKiite FuaecacT. «*«t « n .
s «z».»
KBCIaS FOICE C 3 1 5 U H T . fOrKE/taSTHS*
t**T OF O l S U C I t t t O H «T i l l t TO tllCI U S
fl.e*t»S>
I
21939.1
(mat, cn./'u*.
21
7
REFERENCE I C * F * U E H £ « » ruKCtto>S F O USEOUS ELEHEsI
KrtaciCE F « FISE E a r - i ' OF rcaitTte* OF GASEOUS Ci£"t«r
.FUNCTIONS ra* HC
ixs....,
PSM>1S«C GAS
c».
ciMs/m
f <
2M.
111.
m i .
tfIC.
znt.
Zftf.
11. »
11.141
12.992
I S . *»
i».c?
Ik.IH
JIII.
. i . . n
TtSLt 3 . 1 7 4
s
bllSS/nOl
61.7*1
67.2»2
7*.;aj
•1.3S1
SS.JM
•*.M3
9S.129
-eo.i«M»i/i,
eiwwoi.
H.IU
M.5k7
er.Ki
Ti.it*
7*.239
7t.7»9
79.9*7
M-KWS,
cit/tat
.
FREE ENERGY OF
FO»»ATIO*,
eti/HCi
-I6-KWI1/T,
CIB83/HX.
FtEE ENERGY OF
FSIUUCM,
Cft/ML
12SF.
27*3.
1ISZ.
illh.
10172.
"illll.
sun.
»1.79*
»2.*J7
U.3M
*5.9%1
h7.t»
•7.9t?
kH.m
» » 1. .
».
1.
••
Ht7.
•ill.
1SM2.
£ZHI.
2913*.
36*9*.
76M.
1.
1.
THEVMOTMlnlC FUNCTIONS FOB TIOH (SI
REFERENCE
INTERNUCIE** DISTANCE, ANGSTROaS
•OHO ANGLE, DECREES
r, c»e*»»2
OUMTU* HEIGHT OF SROUHS STATE OF H a
N-0 STRETCH FRE3.UENCY, HUE NOS.
STRETCHING FORC CONSTANT, «JYXE/ANGST*0*
2.18*
Ittl.l
1.252225E-35
1.
»7S.
11.979921
1 *21.>
CI.(93S»I
7IWI.
tf-a-H te*o:tr- n s a u E a c r , HIVE KOS.
SENDING FORCE CONSTANT, HaYHE/ANGSTROX
HEAT OF DISSOCIATION AT 29SK TO HIGI AW
OXICIt CAI/90L
SOUS ELEMENT
REFERENCE FOR R E E EMERGT FUNCTIONS FOR GASEOUS
ELEMENT
ilSEOUS
ELEMENT
REFERENCE FCB R E E ENERGY OF FORMATION OF GISEOUS ELEIKR'
5*
21
5*
IB
2*
23
.FUNCTIONS FOR TL IDEAL,...
WNATONTC U S
Cl>,
T K GIBBS/KIL
291.
5(1.
III).
Kit.
2111.
2511.
3010.
11.11*
12.191
13.'II
13.5*2
lt.08*
lt.265
l*.i>33
S
GI3BS/KOL
63.155
66.219
7».9S1
BO.339
Bit. 310
S7.I.6S
9 3 . 182
-IG-H298I/T,
GIBPS/BOL
6I.1SS
61.467
66.29*
71.115
73.HI
75.733
77.913
H-H298,
CAL/HOL
1.
2376.
8697.
15352.
22258.
29331.
36508.
-51-
FREE ENERGY OF
FORMATION,
CAL/MOL
-11361.
-19215.
-19931.
-1981*.
-W95.
-2571.
93*1.
-tG-HZ9»/T,
GIBBS/ML
FREE ERERGT OF
FORWTTON,
MUHOL
*3.Z3»
*3.79l
*5.76l
1.7.278
»a.ssB
«<>.k69
50.321
35HI.
29691.
17*1».
58S5.
1.
1.
1.
TMIE 3.0.77
THEanoon-uic FUWTIOHS FO« PSOH I S :
»EFE»riee
2.070
IHTEIKUCIEU OISTlRCEi la5ST«H-5
HMD U K I E , DEGREES
(120.1
I t M l ' I J , 0 » 3 » CH»«*
1.412218-116
0 ( 4 8 7 0 * tfEtCKT 3F MOUKO ST8TE OF • ! «
2.
B-0 StIETCH FtClUEHCYi HAVE KOS.
S7*.
STRETCHING FOUCE COMSTIHT, «Oi«E/«KG5T<0<< ( 2 . ( 4 2 4 3 )
8-0-H K K I I K nEaUE»CT, U f E HOS.
11373.1
KITOIIie FOJtCE COJCSTMT, H3«NESIK5Tao*
C9.*MUI
HEAT OF OI-.SOCHTJOM *T 29SS TC =««GI ISO
f
6SJSJ.I
OHCSI« CAl/HOl
tEFEKENCE Fat F ! S EHS'GT FUXCTIOES FC* 6»SEGUS
EOUS ELEICRT
(EFEaEaer r e * F ? ; e E « E 4 G V OF F O V U T I O I I J F G •SEOUS
I S E O U S El£B£HT
EI£B£HT
lib
ie
18
7
7
FUKTICXS fOK ft I O E U .
H.VUTOTIC CIS
o>»
T K cins/isn.
Z«.
511.
till.
Ull.
Zlli.
SSI.
».152
11.116
11.55*
1 1 . ITS
1Z.I73
13. I K
mi.
13. m
TULE 3.979
s
GIB3S/TOL
63.595
6I.M7
76.116
11,968
It.iU
67.512
•9.935
-(G-H24M/T,
GIBBS/HOI
63.145
6*.672
61.618
77.11*
74.779
77.0Bk
78.943
H-HZ9S,
Ul/Ml
F«££ E«E*ST OF
FOVUTIOa,
CU/KB.
1.
1457.
7*ZB.
13*£3.
14741.
2*278.
3291S.
-IG-H248I/V,
-11151.
-1253*.
-11957.
-1*352.
-1*317.
-3915.
71*2.
CUiS/m
F*EE CXCTST OF
rOINtTXOM,
CU/ML
tl.MI
*7.*S3
1187*.
33*31.
**.»!*
*5.4%t
zua.
111*7.
»7.1*5
«t.iu
»5.I77
54*.
*.
1.
THERHQDTHtKIC FUXCTIO'IS FO* BIOH (CI
REFERENCE
IKTEIHUCIEI* OtST«NC£, »K6ST*0>>S
M i l
•OHO 1NCLE, O L R ? S
I1Z«.)
I i * t t » ! 3 , '•••3 • Cl»"6
1.525835-lla
SUAMTIM HEIQtT 3F CROU-'ID STATE OF M •«
1.
« - 0 STIETCH FCTJENCV, HMF HOS.
** I * 5 5 . l
S H E T C H H I G ravs.
COHSTCHTI n o i K F / n i M ^ o *
ti.si7i7>
H-O-H KHOING R E 6 U E W T , M « £ HOS.
(1191.1
KHOlltG FORCE C34SI1ST, JiaYSE/lKSSTSOH
(3.29*391
hE»T OF OIESOCnrtOH »T 298< TO "(61 U O
(
65III.I
Ot(GI, C U / 1 0 L
KEFEKENCE FOR FISE EMERGV FUNCTIONS FOP GASEOUS EL£HERT
tEFEJtEHCE Fffl F U E EMEftGT OF FOeiMTIOH OF GtSEOUS ELEKEHT
2*
23
.FOHCT10H5 FOS I I IOE*L.
DDHtTOHIC C K
CP,
T K GI68S/HOL
zaa.
9.set
511.
1111.
1511.
2111.
Z5I«.
31BI.
1I.S99
11.765
1Z.*«1
12.9*2
13.2E7
13.kG9
S
Gt8BS/90L
62.6*5
67.869
75.6Z5
60.5*1
s*.?«
87.121
89.5*9
-IG-H238IST,
GI8SS/40L
67.6*5
63.77}
67.958
71.SI5
7*.1*3
7K.*5£
7e.**i
H-H398,
CJl/HOt
1.
2**8.
7676.
137*9.
2011*.
26662.
3332*.
-52-
F«EE fKEBGT OF
FOOUTION,
CU/HCl
-IG-M298I/T,
SI8SS/WI
FKEE EMEIET OF
rOUUTIOR,
CIL/WL
•8723.
-10335.
-11(162.
-1(619.
-8179.
*1*9.
16536.
**.678
*5.23l
•7.211
*8.72l
*9.9S»
50.371
51.681
*Q19I.
31993.
21*3*.
9781.
1.
1.
1.
T«8U 3.073
THERRdOTHMIC FUNCTIONS FOR POOH (51
•EFEHf.net
IHTEtHUCLEia OlSUKEE, iKGSTSiO";
309ID MfGlE, 0EG*iES
I1»13»13, G"J • C « " 6
QUMUH HEIGHT V G3.0UH3 STlTE OF . 1 «
« - 0 STttTC'l FREMEHCT, K*»E BOS.
ST«£TCHINS F O * E
CONSTIHJ,
.-vtKe/i*Kn.an
12.0601
(120.)
l.*S'763-llt
( k.l
I *9«.!
12.17363)
11189.1
(0.353191
H-O-H 8EM5IKC FtSatlEKCT, W*f£ Has,
•W0IM6 FORCE C03ST33T, MYltf. «=>.-.ST»0«
HE*T OF OISECCHTICH *T 2 9 3 . i o i « . . ISC < *oiai.i
01 ( G l . S3L/1CI.
ItEFEJtEHCE F « REE EHE3GT FuHCTtOKS FOS GlSEOUS ELE«-r:
REFEIEKE PCS F*££ £S£RG» QF fOBHSTIOM OF C-15ECUS ELEREM
2*
2*
.rtacnoas FO« »o :nE»t.
FOMTamc e » s
CF,
GU3S/K0L
T K
Z1I.
9. US
HI.
11.446
1110.
11.697
1511. 12.»*7
M i l . 12.9M
2311.
13.21k
3 1 1 1 . 13.1CI
T1K.E 3.913
S
GIB3S/H0L
65. H I
Tl.tit
77.999
32.99b
IS.S6S
S9.**3
41.191
•CG-H295)/T,
GIF-FS/KCl
*«.!«
SK.29T
7P.*te
73.S3?
76.551
7H.S51
ei.sjs
H-HZ91,
e&L/mB.
FREE (HF<Sf OF
F0««»TI0K,
ui/na
•(C-HZ9I1/T.
CllSS/KOl
a.
-1*365.
J81S.
7SS9.
13436.
19991.
5*531.
33156.
SS.13I
-tan*.
•21*29.
*s.m
67.11*
-19565.
-4675.
kill.
1631..
k*.37S
SO.HI
51.531
52.151
F«EE (BUST OF
FSlMTIOIt
cii/not
21*67.
1**73.
7177.
1.
1.
I.
1.
THEKHOOIIlUir FUNCTIONS FO» ITOH ( t l
KEFEttlKC
tBTEMHCUM OISTdllCE, 6MCSTI0HS
12.131)
W W U K I E . OEHEES
1121.1
UM*»I3, G«3 • •»••»
1.3*1171-116
QIMNTVKI HEtCMT 3F ttOWO S l t t E OF » t *
I S.I
H-0 SIKTOt FtCOUENCT, * » » t M S .
I 5»7.»
STSETCHIIIC FOKCf COHST6BT, « t h t / » » O S l « O H
13.163661
R-O-H K I O I K FUOUEMCT, WJUf M S .
11219.)
KNOINC FOttE COHSMXT, H O r K / l K S T t O *
19.36*64)
HEAT OF 0 I S 3 9 C U T I M «T 29tK TO H t « | U 9
I 533CI.)
OHCGla C3L/KCL
KFERENCE FM REE ESHGT FUNCTIONS f M 63SE0US ELEICMT
KFEICKE FOK R E E E « « S t CF FOKKITIO* gF GIStOUS EUEHEW
2k
26
. F U K T I M S F M »T I 0 C 1 1 .
MOMITORIC CIS
T K
291.
Sll.
llll.
1511.
Mil.
ISII.
3IIC
ct,
GIMS/IW.
9.361
11.613
11.681
13.639
12.--17
13.S11
13.'97
S
GX335SICH.
6S.S96
TI.TIS
71.363
•3.252
36.912
69,til
92.2*5
•IG-H29«l/Ti
CIMS/WOL
65.961
ftf.tas
7«.7«1
76.176
76.921
79.21*
•1.193
H-H296.
cu/nw.
1.
Mil.
7S71.
13*1*.
199*3.
26511.
331S*.
53'
f « t cutest sr
FO*MTtOR,
C1UML
-is-wiii/i.
•2*7*3.
•367*9.
•2*1*6.
-19*72.
-1*»1S.
•lit**.
•5*7*.
kk.tll
*5.25l
*7.Mt
*«.?»
*«.92l
SO.171
51.WI
Gins/not
F«CE OKWT OF
^HWIiOHi
iHLflOL
13132.
7125.
-TIT.
-**7|.
•Hill.
-39357.
-25711.
TABLE 2.(151
THERIODlllSHIf
FuNCTIOUS FOR FROH IG1
REFEREKCE
IHTERHUCLEA* DISTANCE, AHGSTROHS
(2.400)
BONO ANGLE, DEGREES
U«{].1
I , G»CH»«2
QUANTUM HEIGHT OF GROUND STATE OF n
M
H - 0 STRETCH FREJ'JENCY, KAi/E N 3 S .
STRETCHING FORCE C O I l j T A n T , •0YNE/M1GSTR0H
«.?9Z9iaf-39
( l.|
I 304.1
(0.83845)
H-O-H BEIIOIHG R I S U E N C Y ,
HAVE H O S .
(
292.)
B E N D I N G F O R C F CONSTANT, HOYKE/ALLGSTROH
(0.018*5)
HEAT OF O I S S 0 C I A T I O I I AT 2 9 8 K 1 3 " ( 6 1
MI9
(
30000.1
OH(G>,
SBL/MOL
REFERENCE FOR F * £ E E N R G T F U N C T I O N S F C R GASEOUS ELEKEHT
REFERENCE
F C R R E E EHERGLR O F F O R M A T I O N O F G A S E O U S
ELENEWT
2<.
24
.FUNCTIONS FOR FR IDEAL.
KOHATDHIC GAS
T K
c,
GIBBS/TOl.
298.
u.ia
saa.
tsoo.
12 .572
1 3 . IC4
13.640
14.030
14.282
11.. 1.1.5
1000.
2000.
'EDO.
3C00.
TABLE 3 . J S 3
S
GI83S/K0L
61.366
67.743
76.621.
o2.041
88.023
89.133
91.802
-(G-H29»)/T,
GI9PS/H0L
H-H298,
CAL/KOL
61.366
62.7SS
67.71)9
71.638
74.758
77.338
79.537
0.
21.91..
8915.
15605.
22529.
29612.
36797.
FSEE ESEESr OF
FOSHAT ION,
CAL/HDL
-6271,2.
-62311.
-58445.
-»7S". 9 .
-36771.
-259B2.
-1S200.
-IG-H29BI/T,
GI8BS/K0L
43.480
44.050
46.810
1.7.530
1.8.720
49.708
50.538
FREE EHEBGT OF
FORMATION,
CAL/HOL
11145.
7398.
a.
a.
a.
a.
a.
TH5RH0DTHAHIC FUNCTIONS FOR RAOH (G>
INTERNUCLESB 3 I 5 T A N C E , ANGSTROMS
12.300)
BOND ANGLE, O E « : E S
(1«0.)
I , G«CH«Z
5.8169085-39
QUANTUM HEIGHT OF GROUND STATF OF n P
2.
H - 0 STRETCH FREQUENCY, HAVE NOS.
I 3SS.)
STRETCHING F O R E CONSTANT, HOYNE/ANGSTROH
(1.11597)
H-O-H S E I I O I M ; R E Q U E ' I C T , MAKE M O « .
( 330.)
BENDING FORCE CONSTANT, MOYNE/AHfiSTRON
(0.1)2*55)
HEAT OF D I . S O C I A T I O H AT 298K TP H(G( ANO
( 110000.1
0 H ( G ) , CAL/HOL
REFERENCE ^OR R E E ENERGY FUNCTIONS FOR GASEOUS ELEIEMT
REFERENCE FCR FRiS ENERGY OF FORMATION OF GASEOUS ELENEHT
20
2*
24
.FUNCTIONS FOR RA I D E A L .
KOHATOHIC GAS
FREE ENERGY OF
298.
SOD.
lose.
1508.
2000.
2500.
3080.
CP,
GIBBS/HOL
11.'50
12.472
1 3 . 078
13.628
I t . 02<>
1 * . 278
Ik.1.1.2
i/i
T K
GI33S/K0L
61.1.1.1
67 734
76.577
81.987
85.566
89.125
91.71.3
-(G-H298I/T,
GI8BS/M0L
H-H29J,
CAL/HOL
FORNATK
CAL/HOl
-I6-H29BI/T,
GI3BS/N0L
61.441
62.809
67.719
71.628
74.737
77.309
79.593
0.
2463.
8858.
15539.
22458.
29579.
36722.
-63104
-63873
-647ZS
-64038
-59387
-49234
-3935?
42.158
42.710
44.680
46.200
47.390
48.370
49.219
-54-
FREE ENERGY OF
FQRAATXOM,
CAL/HOL
31201.
26233.
15057.
5521.
a.
a.
a.
TABLE 3 . 3 1 3
THERHOUTNAHir FUNCTIONS FO* »COH (CI
INTERHUCLEie J E U H C E I ANGSTROMS
(2.2001
BOKO ANGLE! OEGRSES
(ISO.)
I , G«CH«2
7.I.S0665E-39
0.UAHTUN HEIGHT 3F GROUND STATE OF *1 H
1.
H-0 STRETCH F*Oj£HCT HAVE HOS.
( 416.1
STRETCHING FCRC CONSTANT, "OTSf/AHGSTROll
(1.530431
H-O'H BEH9IKG REOUEHCY, HIKE NOS.
( 378.1
BENDING FORCF CONSTANT, HOYHE/AHGSTRO*
(0.033681
HEAT OF DISSOCIATION ST 299K TO Hir.l AMD
( 11700C.)
OH(GI. CSL/10L
REFERENCE FC3 R E E EHERGY FUNrTIOhS FOR GASEOUS ELEBEHT
REFERENCE FCR REE EIIERGT OF FORMATION OF GASEOUS ELEHEKT
f
62
75
.FUNCTIONS FOR AC IDEAL.
KOHATONIC GAS
T K
CF.
GIBBS/rOL
290.
500.
100C.
1S0G.
2000.
2500.
3000.
ll.*cl
12.330
1 3 . 39
13.S1Q
1*.31*
1 * . !72
1*.*2«
TABLE 3 . 8 8 *
S
G183S/X0L
59.906
65.39*
74.371
00.271
8*.2<<6
87.1.33
90.021
-CG-H2981/T,
GI9B5/H0L
50.909
61.2*7
66.095
69.971.
73.067
75.629
77.M6
H-H299,
CAL/NOL
FREE ENERGY OF
FORMATION.
CAL/HOL
-(G-H2983/T,
GIBBS/IHIL
FREE ENERGY OF
FORMATION.
CAL/HOL
-10255.
-11208.
-13113.
-1*137.
-1*576.
-1*8*9.
-1*911.
39.9*9
*2.*2*
*6.I7S
*B.28B
*9.936
51.23*
52.322
91258.
85261.
78651.
56S18.
*3368.
39825.
16751.
0.
2>.19.
S777.
15***22358.
25*3*.
366 m .
THERMODYNAMIC FUNCTIONS FOR THOH (Gl
REFERENCE
INTERNUCLEAR DISTANCE. ANGSTROMS
(2.2881
BOND ANGLE. DEGREES
(180.1
I , G»CH»»2
l.*1299GE-3B
OUAKTUH HEIGHT 3F GROUND STATE OF H «
h.
H-0 STRETCH FREQUENCY. NAVE NOS.
( *16.l
STRETCHING FORCE C0NST1NT. 1DVHE/ANGSTROH
(1.538831
H-O-H BENDING RE3UEICY, HIVE NOS.
( 378.1
BENDING F01CE COMSTMT, lOTKE/AHSSTRON
(9.83369)
HEAT OF Oi:SOCI»TTON IT 298K TO N(G1 AND
( 121800.)
OH(G>, CAL/HOL
REFERENCE FOR R S E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR R E E ENERGY OF FOP. 11 ST ION OF GASEOUS ELENENT
23
23
.FUNCTIONS FOR TH IDEAL.
ROMTOHIC G8S
T K
298.
508.
1888.
1500.
2080.
2500.
3880.
c.
GIBBS/rOL
ll.<*22
12.331
13.839
13.(10
1 * . 1*
U.272
1*..3B
S
GIBBS/NOL
63.988
73.165
78.952
84.351
05.326
91.*M
9*. M l
-(G-H298I/T,
GIBBS/NOL
63.998
65.32*
70.175
7fc,BS5
77.1*7
79.TIB
81,896
H-H298,
CAL/HOL
g.
2*19.
8777.
15**5.
22331.
29*3*.
36615.
-55-
FREE ENERGY OF
FORMATION.
CU./NOL
-(G-H298I/T,
GIBBS/ML
22672.
285*1.
15680.
12215.
9*33.
8318.
7882.
*S.*2*
*5.98J
*8.I21
*9.789
51.338
52.732
53.9)5
FREE ENERGY OF
FORMATION,
CAL/NOL
127761.
121267.
115568.
91*31.
767*6.
63716.
5*956.
TABLE 3 . 0 3 ;
THERMODYNAMIC FUNCTIONS FOR P»OH (SI
INTERNUCLEAR OISTAHCE, ANGSTROMS
(2.150)
BOKO ANGLE, DEGREES
(1»0.)
I , 6»JH«Z
5.227907E-39
QUANTUM HEIGHT 3F GRODNO STATE OF H «
9.
H-0 STRETCH FREQUENCY, NUKE NOS.
! uS'.l
STRETCHING FORCE CONSTANT, KOYNE/AKGSTROH ( 1 . 8 1 7 1 7 i
H-O-H BENDING FREQUENCY, HAVE HOS.
( 408.1
BENDING F05CE CONSTANT, HDTNE/AKGSTRON
(0.039191
HEAT OF DISSOCIATION AT 298K TO H(G1 AHO
>. 117000.1
Oh(G), CAL/MOL
REFERENCE FCR F3SE ENERGY FUNCTIOUS FOR GASEOUS ELEMENT
REFERENCE FCR FREE ENERGY OF FORMATION OF GASEOUS ELEHENi
21
60
EST
.FUNCTIONS FOR PA IOEAL.
MOH1TOHIC GAS
CP,
GIBBS/MIL
11.213
12.238
13.013
13.558
1 "1.007
14.268
I k . 435
29S.
soo.
togs.
1680.
2000.
2590.
3000.
TASLE 3 . 9 8 5
-(G-H218)/T,
GIBBS/HOL
61.269
69.370
70.120
83.512
S7.S0*
90.640
93.257
63.269
64.590
69.396
73.2ST
76.339
78.694
01.076
H-H298,
CAL/HOL
FREE ENERGY OF
FORMATION,
CAL/MOL
-(G-H296I/T,
GIBBS/HOL
14947.
14926.
126B1.
9573.
8362.
8371.
7296.
(47.419)
(49.961)
(50.290)
(51.992)
(53.314)
(54.391)
(55.2981
0.
2390.
S723.
15382.
22291.
29365.
36543.
THERMODYNAMIC FUNCTIONS FOR UOH
FREE ENERGY OF
FORM TI CM,
CAL/HOL
( 115227.1
( 109347.1
( 95533.1
(
79887.)
( 6610S.I
( 53515.»
(
39810.)
(G)
INTERNUCLEAR OISTANCE, ANGSTROMS
(2.100)
BOND AHGLE, DEGREES
(190.)
I , G»CK«»2
1.S08141E-3S
QUANTUM HEIGHT 3F GROUND STATE OF *1 N
IP.
H-0 STRETCH FREQUENCY, HAVE NOS.
( 496.)
STRETCHING FORCE CONSTANT, •OVNF/ANGSTROH
(2.17963)
H-O-H BEN3IKG FREQUENCY, HAVE NOS.
( 442.)
BINDING FORCE CONSTANT, H0YNE/AKGST90H
(6.04795)
HEAT OF DISSOCIATION AT 298* TO H(GI AHO
( 114000.)
0H(G1, CAL/HOL
REFERENCE FCR R E E ENERGY FUNCTIONS TOR GASEOUS ELEHEHT
REFERENCE FCR F*SE ENERGY CF FORMATION OF GASEOUS ELEMENT
23
23
.FUNCTIONS FOR U IDEAL.
EOMATOMIC GAS
T K
296.
500.
1000.
1500.
2000.
2500.
3000.
CP,
GIBBS/HOL
10.570
12.122
12.981
13.584
13.199
14. ? «
14.431
S
GI3BS/H0L
65.027
71.038
79.742
85.125
09.194
92.240
94.865
-(G-H298I/T,
GIPBS/HOL
65.027
66.326
71.0S4
74.921
77.989
80.536
82.713
H-H290,
CAL/HOL
0.
2356.
8659.
15307.
22210.
29280.
36456.
-56-
FREE FKERGY OF
FORMATION,
CAL/MOL
-(G-H29BJ/T,
GIB8S/K0L
FREE ENERGY OF
FORMATION,
CAL/HOL
16642.
14100.
9132.
6207.
4808.
4197.
4182.
47.724
48.370
59.604
52.364
53.825
55.108
56.263
114355.
107215.
90358.
75459.
61830.
48655.
35711.
TABLE 3 . 0 8 7
THERHO0TNJHIC
FUNCTIONS
FOR W O H
[CI
IHTERHUCLEAR D I S T A N C E , ANGSTROMS
(2.0101
BOND ANCLE, DEGREES
1150.)
I , G»CN»»2
6.6M502E-39
QUANTUM HEIGHT J F GROUND STATE OF • ! H
9.
H - 0 STRETCH FSCVJENCT, H4KE HOS.
I 515.1
STRETCHING FORCE CONSTANT, "(OYNF/AHSSTROM
(2.351631
K - O - H BEN9IAG FREQUENCY, HAVE NOS.
( 457.1
BEHOIHE FORCE CSHSTJIIT, HaYNE/AHGSTRQM
(0.0517%1
H E * T OF D I S S O C I A T I O N AT 29SK TO H ( G I AH9
t 112000.1
O H ( S I , CAL/HOL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR CASEOUS ELEHEHT
REFERENCE FOR F R i E EMERGT OF FOFHATIOU OF GASEOUS ELEKDIT
Zl
GO
67
.FUNCTIONS FOR MP I O E A L .
KONATONIC GAS
T K
CP,
GIBBS/rOL
298.
500.
1000.
1S0O.
2000.
2500.
3000.
10.RBI
12.069
12.965
13.577
13.995
14.260
1<I.II29
TABLE 3 . 0 6 S
S
GI3SS/MGL
63.333
69.301
77.984
03.363
37.331
90.1-5'.
93.100
-(G-H2911/T,
GIPSS/fOL
£3.333
64.621
69.336
73.1K
76.245
78.795
90.962
H-K29S,
CAL/HOL
FREE EMERGT OF
FORMATION,
CAL/MOL
-(G-H298I/T,
GIBBS/HOL
FREE ENERGY OF
FORMATION,
CAL/HOL
-8053.
-7826.
-7256.
-6383.
-51*7.
-3602.
-1S19.
1.7.229
47.796
49.872
51.668
53.200
54.515
55.649
87303.
82643.
73974.
59305.
47636.
3596T.
24299.
0.
231.0.
!£29.
1S271.
22172.
2921.1.
361.16.
THERMODYNAMIC FUNCTIONS FOR PUOH
(Gl
XHTERHUCLEAR D I S T A N C E , ANGSTROMS
(2.0801
BONO ANGLE, DEGREES
(180.1
J , G«CH»»2
1.270923E-3S
QUANTUM HEICHT 3 F GROUND STATE OF < 1 H
2.
H-0 STRETCH FREQUENCY, NAVE HOS.
( 515.1
STRETCHING FORCE CONSTANT, KOYNE/ANGSTROM
(2.351631
H - O - H BENOING FREQUENCY, HAVE HOS.
( 457.1
BENDING FORCE CONSTANT, HOYWE/ANGSTROH
(0.051741
HEAT OF D I S S O C I A T I O N AT 2 9 8 K TO N ( G l AND
( 107030.)
O H ( 6 ) , CAL/HOL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR FREE ENERGY OF FORMATION OF GASEOUS ELEMENT
23
23
.FUNCTIONS FOR PU I D E A L .
raUTOMIC
GAS
T K
298.
500.
1000.
1500.
2008,
2500.
3000.
CP,
GIBBS/MIL
10.861
12.069
12.965
13.577
13.995
14.260
14.429
S
GIBBS/HOL
61.658
67.627
76.310
81.600
85=£56
35.810
91.426
-(6-H29M/T,
6IBBS/mi
61.65S
62.946
67.681
71.507
74.570
77.113
79.287
H-H298,
CAL/HOL
t.
2340.
3628.
15271.
22172.
29241.
36416.
-57-
FREE ENERGY OF
FORMATION,
CAL/HOL
-(G-K29SIST,
GIB8S/H0L
FREE ENERGY OF
FORMATION,
CAL/HOL
-16170.
-17605.
-19170.
-18951.
-18038.
-16S22.
-14519.
62.317
42.869
65.098
47.157
41.(33
50.731
52.254
75150.
69481.
57251.
45992.
34731.
23321.
11760.
TABLE 3 . 1 9 3
THERMODYNAMIC FUNCTIONS FOR AHOH (G)
IHTERIIUCLS.R 315TAMCE, MiGSTROHS
(2.0501
BONO ANGLE, DEGREES
(190.1
I f G»CH«2
5.0*3SS7E-39
OIMKTUH HEIGHT 3 F GROUND S T » T f OF H H
•).
> 0 STRETCH FREQUENCY, HAVE NOS.
( 515.I
STRETCHING FORCE CONSTANT, HDYHE/AHGSTROM
(3.35163)
H - O - H BEKSIAG F7EQ.UENCY, HAVE N O S .
C *57.l
BEKOIHG FORCE CONSTANT, nDYKE/ANGSTROH
( 0 . 05171.1
HEAT OF D I S S O C I A T I O N »T Z98K TO H | G I ASO
( 107000.1
O H ( S I , CAL/KOL
REFERENCE FCR R E E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE -"03 F?£E ENERGY OF FORMATION OF GASEOUS ELEMENT
60
23
.FUNCTIONS FOR AH I O E A L .
PONATOHIC GAS
T K
C°f
GIBBS/KOL
298.
500.
1008.
1500.
ZOOO.
2500.
3000.
10.062
1Z.-.E9
12.916
13.577
1 3 . J 55
1*.2EB
lk.*20
TABLE 3 . 0 9 3
S
GIBBS/HDL
62.057
63.026
77.505
02.000
86.156
90.109
92.6Z5
-IG-H299I/T,
GIB8S/M0L
62.857
6*.1*6
68.841
72.707
75.770
78.313
80.1.87
H-H29S,
CAL/HOL
FREE ENERGY OF
FQRN1TIOM,
CALSHOL
0.
23*8.
8629.
15272.
22172.
2921.1.
ISUi.
-35**0.
-351*7.
-3**00.
-33201.
-31*33.
-2971*.
-26215.
-IG-H29SI/T,
GIBBS/HOI
FREE ENERGY OF
FORlUTIONt
CAL/HOL
*6.*72
*7.135
*0.997
50.518
51.700
52.662
S3.*75
55001.
50*65.
3S231.
28S01.
18*00.
8380.
0.
THERMODYNAMIC FUNCTIONS FOR CHOH I G I
IKTEKKUCLE15 S i S T A K v E , AKGSTROiiS
12.2501
BOND ANGLE, DEGREES
(18D.1
I , G»CM»»2
l.*62*2tE-38
QUANTUM HEIGHT OF GROUND STATE OF » 1 H
8.
M-0 STRETCH FREQUENCY, WAVE NOS.
f 383.1
STRETCHING F O R M CONSTANT, HOYNE/ANGSTROM
(1.301611
H - O - H BENOCff. F3E9UEHCY, HAVE K O S .
( 353.1
BENDING FORCE C O H S T M T , nOTHE/AHGSTSOM
19.0286*1
HEAT OF D I S S O L U T I O N I T 29SK TO H<GI »ND
I 117080.1
O H I G 1 , CAL/HOL
REFERENCE FOR F * ° E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCS F*SE ENERGY OF FGRHATIOH OF GASEOUS ELEMENT
60
EST
.FUNCTIONS FOR CFI I D E A L .
H O W T O ^ I C GAS
c.
T K GIBBS/HOL
298.
500.
100B.
1500.
ZOOS.
250D.
3C00.
11.SOI
12.»09
13.060
13.620
1*.019
1*.275
l*.-*0
S
GI39S/A0L
65.9*8
7Z.189
ai.csr
S6.*13
90.390
93.5*8
95.166
-IG-H29S1/T,
GIBPS/HOL
H-H29Bi
CAL/NOL
65.9*9
67.38*
72.186
71-.Oil
79.183
61.751
93.911
0.
2**3.
8922.
15*97.
22*13.
29*92.
3667*.
-SB-
FREE ENERGY OF
FORMATION,
CAL/HOL
-25J*1.
-25117.
-Z*7I1.
-2*171.
-23550.
•22882.
-22185.
-IG-H298I/T,
GI39S/H0L
*7.S6*
*7.7B9
59.279
52.17*
53.62*
5 * .786
55.7*9
FREE ENERGY OF
FORMATION,
CAL/HOL
C
1
1
f
(
C
1
761*3.1
71797.)
60952.)
50117.)
39262.1
28*17.)
17572.)
TABLE z.iii!
THESIOOTH»HIC FUH'-.TIOMS FOR BKOH «G»
IHTERNUCLt;= 3I5TAHCE, MiGSTRO»i<:
BONO ANGLE, DEG=!tES
X, G»CM"2
QUANTUM MEIEHT 3F GROU'lO STATE OF n n
n-D STRETCH FREO^MClf, HA¥E NOS.
STRETCHING FO*ET CONSTANT, "DYKE/ASE=TBOr
H-O-H SEHOIHG F^EqUEUCT, HAVE KOS.
BENDING fO*C£ COMSTAUT, H3VKE/AKGST90H
(2.Z00I
(130.1
l.*25S15E-3S
17.
I MS. I
(1.63083)
I 371.1
10.03369}
HEAT OF oissacnriori AT Z9SK TO »(Ci ANO
( tisooo.i
OH(SI, CAL710L
REFERENCE FDS F « E EKERST FUKVIOKS F03 GAS£)U$ ELEMENT
REFERENCE 0 S F*=E EIIEPGY OF FOPHCTIOH OF GASEOUS ELEMENT
r
EST
EST
.FUNCTIONS FOR Bit IDEAL.
KOWITOHIC GAS
CP,
GIBBS/KOL
298.
500.
1000.
11.*2*
12.331
13.039
13.610
l*-5.i*
1*,J7Z
1*.*3S
isaa.
zoos.
2500.
3000.
TABLE 3.09?
5I03S/10L
67.359
73.236
82.02".
87.*23
91.393
9*.S55
97.173
-(G-H298J/T,
GIHPS/»OL
f7.osq
ft*.398
73.2*6
77 . 1 2 *
8J.219
82.781
8*.968
H-H298,
CAL/MOL
FREE ENERGY CF
FORMATION!
CAL/HCL
-(G-H29B1/T,
GIBBS/HOI
-19372.
-2G350.
-22*85.
-Z*12S.
-25598.
-25929.
-Z7132.
0.
21)19.
8777.
15**5.
22359.
29*35.
36615.
FREE ENERGY OF
FORMATION.
CIL/ML
(48.5521
(*9.212l
(S1.SC7)
15 3.3211
(5*.7671
(55.96*1
I56.90M
srioi.i
7«lll.l
Ulll.l
*••!•.•
SSBBt.l
23011.1
tllll.)
THERNOOTNAMIr FUNCTIONS FOR CFOH IGI
REFERENCE
INTERNUCLEAR DISTANCE, ANGSTROMS
(2.23DI
BONO ANGLE. OEG^EES
(100.)
I , 6»CN«2
7.551310E-39
OUAKtUN WEIGHT I F GROUND STATE OF *1 H
IB.
M-0 STRETCH FREWENCT, NAVE NOS.
( 395.1
STRETCHING FORK CONSTANT, HOTNE/ANGSTROH
(1.387*11
M-O-H BENOIK FREQUENCY, NA«E NOS.
( 363.1
BENDING FORCE C0M5TAHT, HOYNE/ANGSTROH
(0.030521
HEAT OF DISSOCIATION ST 298K TO H«GI ANO
I 103001.1
OH ( 6 1 . CAL'rlOL
REFERENCE FOR S=UE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR F*SE ENERGY OF FORMATION OF GASEOUS ELEMENT
EST
EST
.FUNCTIONS FOR CF I D E A L . . . .
RONATONIC GAS
.
T K
298.
500.
1000.
1500.
20BO.
2500.
3000.
CP,
GIBBS/NOL
11.53*
12.300
13.053
13.616
1*. i7
l*-27*
1*.**0
S
GIB3S/K0L
66.136
72.353
81.159
86.562
90.539
93.696
96.31*
-IG-H29»lrr,
GIBBS/MOL
H-H290,
CAL/MOL
66.136
67.*S5
72.35*
73.2**
79.3*2
01.9*8
8*.097
0.
2*3*.
8805.
15*77.
22393.
29*70.
3E652.
-59-
FREE ENERGY OF
FORMATION,
CAL/NOL
-26321.
-23121.
-30776.
-3**72.
-3*1*0.
-33739.
-332**.
-IG-H298I/T,
GIBBS/MOL
(*b.79*>
(*7.3S7I
(*9.32*>
(50.07*1
(52.1191
<S 3.1«7>
!5*.076l
FREE F»""«.J* OF
FOR. ION,
CAL/NOl
t
(
(
(
C
(
C
SlIOI.l
SSIH.l
*2fil.»
28000.1
lOIOl.t
Olll.l
-2M0.1-
TABLE 3 . 0 9 1
THERHOOYHAHIC FUKCTI0I1S FOR ESOH lt.1
REFER EIRE
IHTERSUCL^a DISTANCE, ll.GSTRO'S
12.2201
BONO ANGLE, OEG3EES
1130.)
If G»CH«2
1.447670E-3A
QUAHTUrl HEIGHT OF GROUNO STATE OF »1 H
17.
H-0 STRETCH FREQUENCY, HIKE KOS.
{ ".01.1
STRETCHING FORCE CONSTANT, HOYHE/ANGSTROS (1.433141
H-O-H BENDING REauENCY, HAVE MOS.
{ 36S.I
BEHOINS FO=iCE CQHSTANT, HOYKE/AHOSTSOM
(I!.(3153)
HEAT OF DISSOCIATION AT 29SK TO H|SI »M1
I 119003..
OHIG1, CAl/HOL
REFERE'CE FOR REE EHERGY FUHCTICHS FOR GASEOUS ELEHENT
REFERENCE FOR REE EKERGt OF FORHAYIOH OF CASEOUS ELEHENT
EST
EST
.FUNCTIONS FOR ES IDEAL.
HOHATONIC CAS
T K
CP,
GIBBS/KOL
298.
5IB.
UBB.
1500.
11.1.M
12.365
1 3 . . 48
13.614
1*. 816
14.273
1**439
2888.
2588.
3088.
TABLE 3.0=1.
GI89S/1WL
67.305
73.509
82.310
87.712
91.687
9*.8*5
97.463
-(G-H2951/T,
GIBBS/TO.
67.305
69.651
73.513
77.400
SB.496
83.861
•5.Z50
H-HZ9S,
CAL/HOL
FREE ENERGY OF
FORMATION,
CAL/HOL
-30692.
-31741.
-36815.
-39356.
-40719.
•42064.
-41331.
0.
2429.
•796.
15467.
22382.
25459.
36648.
-(G-H29SI/T,
GIBBS/HOI
FREE ENERGY OF
FORHATION,
CAL/HOL
146.7131
(47.281)
149.2441
158.7741
(51.9841
(52.991)
(53.8661
63808.)
58808.1
44808.1
31801.)
21101.)
9888.1
8.1
THERHOOYHAHIC FUNCTIONS FOR FHOH (Gl
INTERHUCLEAR DISTANCE, ANGSTROMS
(2.2181
BOND ANGLE, OERcES
(188.1
I , 6"C*"2
1.43495SE-39
QUANTUM HEIGHT ] F GROUHD STATE OF • ! H
14.
H-0 STRETCH FREQUENCY, HAVE NOS.
( 488.)
STRETCHING FORCE CONSTANT, HOYHE/AHGSTROH (1.480911
H-O-H BEMDltG FREQUENCY, HA«E HOE.
( 373.1
BENDING FORCE C015TAHT, HDYNE/ANGSTRON
(8.832581
HEAT OF DISSOCIATION AT 29SK TO H(G1 AND
( 112000.)
OH(G), CAL/HOL
REFERENCE FOR REE ENERGY FURTTIOHS FOR GASEOUS ELEHEHT
REFERENCE FOR REE ENEPGY OF FORHCTIOH OF 6ASEOUS ELEHEHT
21
EST
EST
.FUNCTIONS FOR FN IDEAL.
HOHATOKIC CAS
CP,
T K
298.
SIB.
iaae.
1588.
2880.
2580.
3888.
GIBBS/HOL
11.462
12.'48
13.-44
13.612
1 4 . 15
14.373
16.439
S
GIBBS/HOL
66.821
73.912
81.807
87.208
91.183
94.348
96.958
-(G-H29H1/T,
GIBES/"OL
66.821
68.164
73.020
76.983
79.998
82.561
54.749
H-H291,
CAl/NOL
B.
2424.
8787.
15457.
22371.
29447.
36628.
-60-
FREE ENERGY OF
FORHATION,
CAL/HOL
-29658.
-31684.
-34192.
-38163.
-48441.
-40687.
-40148.
-IG-H2981/T,
GIBBS/HOL
(46.347)
(66.91BI
(48.8741
(50.4161
(51.6241
(52.6411
(53.S29I
FREE ENERGY OF
FORHATION,
CAL/HOL
(
(
(
(
(
(
(
67808.)
61181.1
48888.1
35008.)
23101.)
13011.)
Hul.l
I«BLE 3.095
THERHOOYNAHIC FUNCTIOMS FOR 1 0 0 M I d
1HTERNUCLEAR D I S T A N C E , ANGSTROMS
12.2201
BOKO ANGLE, DEG7JES
(180.1
I , C»CH»«2
5.761204E-39
QUANTUM HEIGHT OF GROUND STATE OF » 1 H
q.
H - 0 STRETCH FREQUENCY, HAVE HDS.
C 401.1
STRETCHING FORCE CONSTANT, MDYHE/ANGSTROM
(1.433141
H-O-H BENDING FREQUENCY, HAVE KOS.
( 36*.>
BENDING FORCE C 0 1 S T A H T , HOYNE/XHCSTROD
(0.031531
HEAT OF D I S S O C I A T I O N I T 298K TO H ( G ) U O
( 107000.1
OH ( E l i CAL/HOL
REFEREINCE FOR !R E E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERE!MCE FOR 1R E E EHEFGY OF FOPNATIOH OF GASEOUS ELEMENT
EST
EST
KBKITOHIC G«S
CF.
SIBBS/fOL
298.
500.
1000.
1500.
2C00.
2500.
3000.
11.4*9
12.165
13.048
13.614
14.016
14.273
14.439
TABLE 3 . 0 9 6
S
GI33S/H0L
64.231
70.435
79.236
84.638
88.614
91.771
94.39G
-(G-H299I/T,
GIBBS/»OL
H-H29S,
CAL/MOL
64.231
65.577
7C.44H
FREE ENERGY OF
FORMATION,
Cll/«lll
0.
2429.
8796.
15467.
22382.
29459.
36640.
m.lil
77.423
79.958
82.176
-44165.
-44858.
-47Z49.
-49720.
-50254.
-44788.
-42262.
-CG-H298I/T,
SleSS/HOL
•
T K
,
FREE ENERGY OF
FORMATION,
CAL/MSL
1
I
C
(
(
i
I
47818.)
42aaa.i
29SS8.1
16101.)
sata.i
a.i
-9101.1
THERMODYNAMIC FUNCTIONS FOR NOOH 1 6 )
IHTERNUCLEAR O I S T A H C E , ANGSTROMS
12.223)
BONO ANGLE. DEGREES
1186.1
I , G*CN«*2
1.446937E-38
QUANTUM HEIGHT 3 F GROUND STATE OF » 1 H
2.
t t - 0 STRETCH FREQUENCY, H I V E HOS.
C 481.1
STRETCHING FORCE CONSTANT, HOYNE/AMGSTROH
(1.43314)
H - O - H BENDING FREQUENCY, HAVE NOS.
( 368.)
BENDING FORCE C 0 H 5 T M T , HDTNE/ANGSTRON
10.83153)
HEAT OF D I S S O C I A T I O N AT 298K TO N I G ) AND
( 10380*.)
O H [ E l , CAL/NOL
REFERENCE FOR R E S ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR R E E ENERGY OF F O F I U T I O N OF GASEOUS ELEItEHT
ESI
EST
.FUNCTIONS FOR NO I D E A L .
NOHATOHIC GAS
T K
11.459
12.365
13.P4S
13.614
14.016
14.273
14.439
S
GIBBS/HOL
63.061
69.265
78.J66
S3.468
87.444
98.601
93.221
-(G-H29»l/T
GIBBS/HOL
63.861
64.407
69.270
73ilS7
76.253
78.818
81.806
t
H-H298,
GAL/HOL
8.
2429.
8796.
15467.
22382.
29459.
36648.
FREE ENERGY OF
FORMATION,
CAL/HOL
-68026.
•61383.
•65139.
- -66JS7.
-S7l2e.
•48081.
-39118.
-(G-H298)/T,
GI8BS/ML
II!
298.
SOD.
iaoo.
1500.
2000.
2500.
3000.
CPt
GIBBS/KM.
FREE ENERGY OF
FORUTION,
CAL/HOL
1
1
c
t
C
(
(
2S1B1.1 :
23BIB.)
isaai.i
t.i
8.1
8.1
8.1
II I: I
TASLi 3 . 0 9 7
THERMODYNAMIC FUNCTIONS FO? LNOW CGI
12.220)
IfrERKUCLE-B OISTAHCE, ANGSTROMS
C1AO.I
BONO ANGLt, OtGREES
I , G»CM"2
l.*S7529E-38
QUANTUM HEIGHT 0=^ GR0UH3 STATE OF *1 «
1.
H-0 STRETCH FRE1UENCY, HAVE NOS.
I 1.01.1
STRETCHING FORK CONSTANT! lOYNE/ANGSTROI- C l . * 3 3 1 * l
M-D-H BENDING FREQUENCY, HAVE BOS.
( 368.1
BENDING FOSCE CONSTANT, HOYXE/AHGSTROH
CO.031531
HEAT OF DISSOCIATION »T 29SK TO "CGI AHO
( 121009.1
0HCG1, CALSHOL
REFERENCE <XR F*E6 ENERGY FUHCTIOHS FOR GASEOUS ELEMENT
REFERENCE FCR FJE6 ENERGY OF FORMATION OF GASEOUS ELEMENT
EST
EST
.FUNCTIONS FOR LH IDEAL.
HOHATOHIC GAS
T K
C,
GIBBS/HOL
11.1.99
12.765
13.0*8
13.61*
1*.016
tt.273
1*.»39
298.
sao.
1000.
1500.
2000.
2500.
3CO0.
TABLE 3 . 0 9 «
S
GI3BS/H0L
61.707
67.911
76.712
62.111.
06.090
69.2*7
91.065
-IG-H29S1/T,
GIB8S/"0L
H-H29B,
CAL/HOL
61.717
63.853
67.916
71.802
7*.099
7T.*63
79.652
2*29.
•796.
15*67.
223C2.
29*59.
366*0.
FREE EHEHGY OF
FORMATION,
CAL/MCL
a.
-(G-H298I/T,
GIBBS/HOL
-11788.
-1*226.
-17832.
-21221.
-2**53.
-25603.
-25659.
l**.1521
C*k.713l
1*6.8301
1*8.6001
(50.8191
151.177)
(52.1591
FREE ENERGY OF
FORMATION,
Cit/nOL
t 93068.)
( 86001.1
C 71808.1
1 56901.)
( *1001..l
1 28808.)
I 16808.1
THERMODYNAMIC FUNCTIONS FOR 0*OH (G)
REFERENCE
(1.9081
INTERNUCLE1R 3ISTANCE, ANGSTROMS
(120.1
BONO ANGLE, QEMIES
I 1 * I 2 » I 3 , 6*»3 • C N " 6
1.9387*9-116
QUANTUM ME-GHT OF GROUNO ST8TE OF »1 N
C *.!
H-0 STRETCH FRE3/JENCY, NAVE NOS.
( 761.1
STRETCHXHG FOBCS CONSTANT, H0YNF/AN6STRUM ( 5 . 1 6 6 5 * 1
N-O-H BENOtM; FlSaUENCY, NAVE NOS.
(176*.I
BENDING FOSCE CO'ISTANT, HOYME/ANSSTROR
(0.836981
HEAT OF DISSOCIATION AT 2 9 8 * TG H(G) AND
( 1*0008.)
OH CGI t Mc/MOl
REFERENCE OR R E E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR fXZC ENE. GY OF FORMATION OF GASEOUS ELEMENT
r
EST
EST
.FUNCTIONS FOR 0* IDEAL.
HONATOHIC GAS
T K
298.
580.
1000.
1580.
ZOOO.
2500.
38F0.
C't
GIBBS/POL
0.69*
9.630
11.219
1Z.1S7
12.76*
13.il0
13.726
S
GXB3S/10L
65.326
69.756
76.966
81.71*
85.337
58.195
90.606
-CG-H29S1/T,
EIBBS/KOL
65.026
66.0*7
69.665
73.066
75.695
77.916
79.836
H-H298,
C4L/N0L
0.
185*.
7191.
12973.
19223.
25699.
32311.
-62-
FREE ENERGY OF
FORMATION,
CAl/HOL
-(G-H2981/T,
GIBBS/NOL
33369.
3052*.
2565*.
21*98.
17860.
1*621.
13710.
(**.6*2)
(*5.20B)
(*7.265)
(1,9.0091
(S0.*72)
(51.719)
(52.799)
FREE ENERGY OF
FORMATION,
CAL/HOL
(
(
(
(
(
t
(
158008.)
151001.)
135001.)
119008.1
10300B.)
87188.)
73088.)
Table 4. Thermodynamic functions of the gaseous dihydroxides. The known values
are taken from the indicated references, and the estimated values are en­
closed in parentheses.
TABLE "..001
THERMODYNAMIC FUHCTI"NS FOR BEfGHIZ 101
1.1.00
IHTERHUCLEIR DISTANCE, ANGSTROMS
O-M-0 BCNi) ANGLS, DEGREES
150.
I 1 » I Z » I 3 , 1*3
• CH«6
3.526k87-116
\m
QUANTUM HEIGHT 3 F GROUIID STATE OF » 2 H .
STRETCH FREOUEICY FROM M - F , HAVE NO!!.
1265.
STRETCHING FOSCE CONSTANT, KDYHF/ANSSTROM
(5.?65>
O-M-0 SENDING FOiSE CONSTANT, H0YKESANGST90H
(0.175)
H-0 ANTISYMMETRI': STRETCH F 9 E Q - ,
HAV^
330.
O-H-0 SEMOIHG F?£EU£HCY, KAVE HOS.
H-0 SYMMETRIC ST-IETCH FREOUEHCY, HAVE HOS.
15k2.
(1565.1
H-O-H SEHUIKG R I Q U E N C Y , HAVE HOS.
25300J.
HEAT OF DISSOCIATION AT 29S« TO H(G1 AH9
2IOH1 CGI> CAL/HOL
REFEREHCE r e s F?5E ENERGY FUNCTION., FOR G»S£ S ELEMENT
REFERENCE FOR FREE ENERGY CF FORMATION OF GASEOUS
OUS ELEMENT
R
0
S
5
63
20
T
33
63
63
eso.
7
7
7
FUHCTZ3NS FOR BE I D E A L .
hONATOHIC GAS
-[G-H29«J/T,
GIBOS/MOl
CP,
GIBBS/HOL
298.
500.
1000.
1500.
2000.
1500.
3000.
lZ.'W
lk.9k8
19.551
Zl.'53
21.290
2k.0E9
2k.5«0
TABLE k . 0 0 2
59.076
66.070
70.025
86.1.55
92.972
91.260
102.691.
59.076
60.56k
66.515
71.025
76.329
00.202
93.592
H-H29B,
CAL/MOL
FREE ENERGY OF
FORMATION,
CAL/HOL
0.
Z733.
11509.
2191.5.
33287.
k51kk.
57300.
THERH00YNAMIC FUNCTIONS FQR B I O H I Z
-16-H29»l/T
GI93S/H0L
f
3?.5k5
33.109
35.470
36.591
37.T73
39.73*
39.5VI
-lkB7S9.
-11.371,8.
-129922.
-115366.
•9969*.
-•37)3,
-61512.
FREE EHERST OF
FORMATION,
CAL/H3L
69231.
63193.
ttll*.
13316.
Hl«».
6661.
I.
CGI
REFERENCE
INTERHUCLEAR DISTANCE, ANGSTROMS
1.295
O-M-0 BONO I N G L E , DEGREE5
(120.1
I i » I 2 » I 3 , G « 3 » CH"6
5.196050-116
QUANTUM MEIGHT 3 F GROUND STATE OF » 2 M ,
Z.
STRETCH FREQUENCY FROM M - F , HAVF N 0 S .
11.10.
STRETCHING FORCE CONSTANT, MOYNE/ANGSTROH
( 7 . 31.11
O - H - 0 6EN0IKG FORCE CONSTANT, M0VHE/AH6STR0N
Ct.2kkl
H-0 ANTISYMMETRIC STRETCH F i E O . i
HIVE NOS
11307.1
O-H-0 BENOIIG FREQUENCY, HAVE NOS.
1 ZBB.l
H-0 SYHMErilC STRETCH FREQUENCY, HAVE NOS.
(1*71.1
H-O-H BENDING FREQUENCY, HAVE HOS.
(1788.1
HEAT OF DISSOCIATION AT 2 9 8 1 TO N I C ) AND
266000.
2 I 0 H 1 ( G : , CAL/10L
REFERENCE FCR FREE ENERGY FUNCTIONS FOR GASEOUS
IS ELEMENT
REFEREHCE FOR FxEE ENERGY OF FORMATION CF GASEOUS
OUS ELEHEHT
7
21
7
7
7
7
FUNCTIONS FOR B I D E A L .
HONATONIC GAS
-IG-H29B1/T,
GIBBS/MOL
CP.
GIBBS/NOL
298.
500.
1000.
1500.
2000.
2500.
5000.
11.911
13.965
10.057
21.562
23.050
23.910
2 k.1.37
6Z.317
6B.927
80.250
BS.«63
9k.891
100.135
106.565
62.317
63.731
69.31,2
7k.k09
7!; .756
62.523
85.836
H-H29B.
CAL/HDL
0.
255.1.
10900.
21002.
32271.
kk029.
56126.
-63-
FREE ENERGY OF
FORMATION,
CAL/HOL
-U8k72.
-101.289.
-9253k.
-8001k.
-67200.
-SU27.
-39927.
-(G-H298I/T,
GIBBi/HOL
36.669
37.212
39.119
k0.696
kl.676
k2.039
k3.6k6
FREE ENERGY OF
FORMATION,
CAL/HOL
122291.
1151 S 3 .
97125.
79319.
61935.
«U5T.
Z9M3.
TAeiE ••.003
THERHaDTHAKIC FUNCTIONS FOR C I 0 H 1 2
IGl
REFE°EH«
iHTERHUClEle DISTANCE, l«GSTRO"S
O - H - 0 BONO BHGLE, DEGREES
1..100
105.
5.638554-116
1.
1388.
16.7291
15.2241
1222.
668.
11G2.
(1714.1
1200000.1
I1»I2»I3, '-••! • CH"6
OUAHTUH HEIGHT 3 F GROUHO STATE OF • 3 " ,
STRETCH FR OUENCT FROH H - F , HAVE 1105.
STRETCHING FORK CONSTANT, KOYHF/ANGSTROH
O - H - 0 BEHD1KG FORCE COHSTAHT, HDYNE/AHGSTROI
H - 0 A N T I S Y l r E T R I C STRETCH F R E Q . ,
HAVE HOS
O - H - 0 BENDtkG FREQUENCY, HAVE NOS.
H - 0 SYMMETRIC STRETCH FREQUENCY, HAVE NOS.
K-O-H BEHOIKG FREQUENCY, HAVE H O S .
HE*T OF 0 I S S 0 C I A T I O H S T 2 9 8 K TO H(G1 *XO
2 (OH) ( G l . C A L / M L
REFERENCE FOR FREE EHERGT FUHCTIOHS FOR GASEOUS
IS ELEKEHT
REFERENCE FOR FREE ENERGY OF FORHATICH OF GASEOUS
ELEMENT
OUS ELEMENT
7
63
20
7
63
63
63
7
7
FUNCTIONS FOR C I D E A L .
FOHATOHIC GAS
CP,
GIBBS/KOL
298.
10.?03
13.557
19.026
21.6(5
23.131
23.965
24.476
SOD.
1000.
1500.
2C00.
2S00.
3010.
TABLE 4 . 0 0 4
-{G-H2981/T,
GIBBS/10L
57.788
63.9Z7
75.275
83.51.9
90.005
95.26li
99.683
57.788
59.076
61. .508
69.539
73.879
77.667
80.961
H-H29B,
CAL/HGi
FREE EHERGT OF
F09KATI0N,
CAL/HOL
-(G-H29SI/T,
GIBPS/HOl
'33*8.
2058.
15906.
30265.
1*720.
59173.
73619.
37.761
38.325
tO.299
1.1.811
i.S.955
43.958
44.771
0.
2*26.
10766.
2101k.
32253.
44045.
56165.
THERMODYNAMIC FUNCTIONS F 0 7 H I 0 H I 2
INTERNUCLS1C O I S T A U C E , ANGSTROMS
O - H - 0 BONO eilGLE, OEGREES
I1»I2*IJ, G"3 • CH»«6
FREE ENERGY OF
FORPATICtt,
CAL/ROL
160033.
1525 ii6.
133616.
114592.
95876.
77168.
58S-9.
(Gl
1.370
»12".l
8.183029-116
2.
1115.
(5.3351
(0.1791
107<>.
573.
931.
(1559.1
(145000.1
QUANTUM HEIGHT 3 F GROUND STATE OF » 2 H ,
STRETCH FRECUE1CT FROH N - F , HAVE HOS.
STRETCHING FORCE CONSTANT. COYNE/ANGSTROM
O - H - 0 BENOtkG F O V E CONSTANT, MDYNE/AKGSTROM
H - 0 ANTISYMMETRIC STRETCH FRF.O.,
HAVE NOS
O - H - 0 BENDING FREQUENCY, HAVE NOS.
H - 0 SYMMETRIC STRETCH FREOUFHCY, HAVE HOS.
H - O - H EEHOING FREQUENCY, HAVE HOS.
HEAT OF D I S S O C I A T I O N AT 2 9 8 1 TO " ( G l ANO
2 ( O H I ( G l , CAL/MOL
REFERENCE FOR R E E ENERGY FUNCTIONS FOR GASEOUS
JS ELEHEHT
REFERENCE FCS F * E E EHFROr OF FORMATION OF GASEOUS
ELEHENT
FOUS ELEHENT
7
20
7
7
7
7
7
7
FUNCTIONS FOR N IOEAL.
POHATOMIC GAS
CP,
SIBBS/rOL
298.
500.
1000.
1500.
2000.
Z5G9.
3000.
11.070
14.fcD2
19.594
21.995
23.719
24.090
24.>E5
-IG-H298I/T,
6IBRS/*0l
60.144
66.742
78.641
87.090
93.617
98.911
103.348
60.144
61.529
67.308
72.562
77.041
80.903
84.284
H-H29S,
CAL/HOL
0.
2606.
11333.
21792.
33152.
45021.
57194.
-64-
FREE EHERGT OF
FORMATION,
CAL/HOL
-255.
e725.
31850.
55129.
78000.
10G741.
123304.
-(G-H296I/T,
GIBPS/HOL
36.614
37.177
39.140
4?.66<1
41.843
42.803
4*.6U
FREE ENERGT OF
FORKATICH,
CAL/ROL
108870.
106014.
98510.
90716.
82784.
74763.
6E683.
TABLE t.oas
fKERiaorHJnic FUNCTIONS F O * O I O H I ?
ICI
REFERENCE
, INTERNUCLEli: D I S T A N C E , ANGSTRO'S
O-H-0 BONO ANGLE, DECREES
; I l « M » I S G « 3 • CH«6
: faUUntUH HEIGHT OF GROU:l& ST1TI OF *ZH,
STRETCH FREQUENCY FROM H-F, MITE NOV.
: STRETCHING TORCH -OHSUNT, nOYHE/»HGSrROH
! O-H-0 8ENDIM FOWE CONSTANT, HOTNE/ANGSTRON
H-0 1NTISTKFETRIC STRETCH F R E C , MYE HCS
f
o-K-g BEuoiKG R ; 0 . U E N C T ,
HIVE Has.
1.1.12
1120.1
1.0*36*2-115
1.
1156.
16.136)
18.1711
528.
*61.
S31.
(15*9.)
1 9S19S.I
7
20
7
7
7
7
H-0 STKMETRTC STRETCH FRLQUiHCY, HIVE HOS.
H-O-H KHDIHG RECUEHCY, HIVE KDS.
HEAT OF OtSSOCIiTIOH AT 2 9 8 * TO "16) AND
2IOHI IGli CAL/HOL
IS ELEMENT
REFERENCE r c S R E E EKE S t FUNCTIONS FOR GASEOUS
OUS ELEKENT
ELERENT
REFERENCE FCR F*EE ENERGY OF FORMATION OF GASEOUS
7
7
FUNCTIONS FOR O IDEAL.
KMTONIC S I S
-IG-H29H/T,
GIBNS/KOL
CP,
GIBBS/TOl.
29a. 11.472
s a t . 15.197
i g a i . 19.823
1519. 22.1C7
2IID. 23.IIS
2599. 21..133
**lt. 2*.595
TABLE * . 0 H
59.8:9
66.911
78.946
B7.512
9*.35*
99.359
113.113
59.8J«
61.311
67.321
77.699
77.258
61.159
9*.S72
H-H29B,
CAL/HOL
FREE FNERGT OF
FORMATION,
CM./HOI
B.
2751.
11665.
22215.
33617.
*S5BZ.
$7643.
-CC-HJMI/T,
Gian^/HOl
-6387.
32*11.
27129.
51(67.
71.516.
«3*2.
121711.
TS.*6*
39.455
".1.167
62.611
•••..775
*$.Stl
FREE ENERGY OF
FORM TICK,
CKL/WL
55395.
52*«5.
**B7S.
37132.
29162.
21173.
13131.
THERMODYNAMIC FUNCTIONS FOR H6<0H>2 IG)
REFERENCE
INTERNUCLEAE D I S T A N C E , ANGSTROMS
1.891
159,
1.962*29-115
1.
719.
12.142)
IB.8961
*78.
2*2.
837.
11249.1
1195(99.)
O-N-O BOND INGLE, OEGREES
11*12*13, 6 « 3 • C H « 6
QUANTUM HEIGHT 3F GROUND STATE OF »2fl,
STRETCH FREOUEtCT FROM N - F , HIVE NOS.
STRETCHING FORCE CONSTANT, NOVNE/ANCSTROR
O-H-0 BENDING F31CE CONSTANT, HOYHE/AN6STR01
H-0 AKTISTNNETRIC STRETCH F5EQ., MAYF HOS
O-N-O BENDING FREQUENCY, HAVE NOS.
H-0 SYMMETRIC STRETCH FREQUENCY, HAVE NOS.
H-O-H BENDING FREQUENCY, HAVE NOS.
HEAT OF DISSOCIATION AT 298H TO NIG) AHO
2I0H1 CGI, CAU'MOL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR GASEOUS
S ELEHENT
ELENENT
REFERENCE FOR FIEE ENERGY OF FORMATION OF GASEOUS
OUS ELENENT
5
63
21
7
61.
6*
6*
7
7
FUNCTIONS FOR HG I D E A L . . . .
HONATONIC GAS
CF,
T K GIBBS/MIL
299.
sag.
loao.
13E0.
2999.
2501.
3999.
13.8*9
16.4*2
20.623
22.525
23.63*
24.256
2*.710
-(G-H2991/T,
GIPBS/HOL
63.829
71.7*9
86.789
93.536
100.182
115.533
110.903
63.829
65.51*
72.155
77.899
82.673
86.727
98.2*1.
H-H29B,
CAL/NOL
B.
3116.
1ZS25.
23*55.
35.19.
67115.
59275.
-65-
FREE ENERGY OF
FORMATION,
CAL/MDL
-133529.
-128332.
-11*061.
-95*58.
-68269.
-*13S9.
-1*593.
FREE ENERGY O F
-CG-H29BI/T,
Giaas/Moi
35.59*
36.167
38.129
39.551
*0.732
61.693
*2.5B1
FORMATION,
CAUHOL
27125.
2159*.
8557.
I.
1.
1.
1.
TABLE * . 3 C 7
THERMODYNAMIC FUNCTIONS FOR A L I 0 H I 2
101
REFERENCE
INTERNUCLEIB DISTANCE, ANGSTROMS
1.651
0-N-O BOND ANGLE, OEGREES
1129.1
11*12*13 G**3 • C M « 6
3.35*451-115
O.UAKTUK HEIGHT OF GROU-:0 STATE OF *2N,
2.
STRETCH FRECUEICT FROM H-F, HAVE KOS.
812.
STRETCHING FORCE CONSTANT, HOYNE/AHSSTROH
n.7i,ai
O-H-0 BEM9ISG FORCE CONSTANT, MOTHE/ANGSTROM 13.1251
H-0 ANTISYMMETRIC STRETCH FREO., HAVE HCS
759.
O-M-0 SENDING FREQUENCY, HAVE KOS.
236.
H-0 SYHHET'IC STRETCH FREQUENCY, NAKc HOS.
917.
H-O-H SEH3IKG FREQUENCY, HAKE HOS.
llfcld.I
HEAT OF DISSOCIATION AT 298* TO HCGI AHO
I2580I8.I
2I0HI IG1, CAL/HOL
IS ELEMENT
REFEREHCE FOR FREE ENERGY FUNCTIONS FOR GASEOUS
REFERENCE FOR FREE ENERGY OF FORMATION OF GASEOUS
THIS ELEMENT
7
f
2a7
7
7
7
7
7
FUNCTIONS FOR AL IDEAL.
M0MT0H1C GAS
-IG-H249I/T,
GIBBS/MOL
CP,
GIBBS/POL
294.
SIB.
1000.
isai.
2888.
2580.
3(88.
13.03%
16.
«
20.238
22.126
23.516
2%.219
21.. 656
TABLE %.0B»
6S.%68
72.95%
•5.569
94.211
IBS.812
1(6.1*1
IK.599
H-H298,
CAUHOL
65.%6S
67.859
73 . H I
78.971
S3.639
•7.62%
91.642
a.
29%S.
12168.
22(59.
3 ".3*6.
%619%.
58521.
FREE ENERGY OF
FORMATION,
CAL/HOL
FREE ENERGY OF
-IC-H298I/T,
GIBBS/HOI
FORFATICH,
CAL/HOL
3».38%
68388.
617 S T .
%63%2.
32735.
19573.
6739.
-1*6618.
-1*1916.
-121687.
-113*63.
-97926.
-82126.
•6(56%.
39.STB
1.1.86%
%3.395
%%.*83
%5.5%7
%6.«7
a.
THERMODYNAMIC FUNCTTOHS FOR SII0HI2 <G>
REFERENCE
INTERHUCLEK: DISTANCE, ANGSTROMS
O-H-0 BOND ANGLE, DECREES
I l * I Z * I 3 i G**3 • C»»"6
QUANTUM HEIGHT 3F GROU'IO STATE OF »?H,
STRETCH rRECUEWY FROM M.-F, HAKE DOS.
STRETCHING FORCE CONSTANT, NOTHE/ANGSTROH
O-H-0 BEHOIfcG FORCE CONSTANT, MOYNE/ANGSTROM
H-0 AHnSY-HET^l-; STRETCH FREQ., HA»F HOS
O-H-0 BENDIHG FREQUENCY, HA«E H05.
H - 0 SYMMETRIC STRETCH FRtBUFNCY, HAVE N O S .
1.591
1*8.
1.969148-115
1.
858.
I*.*SM
ia.i%si
8%3.
3%S.
(S3.
11588.1
I2%8B89.I
7
63
28
7
63
63
63
H-O-H BENOING FREQUENCY, HAYE KOS.
HEAT OF DISSOCIATION AT 298R TO HIG1 AH9
2IOHI IG>, CAL/MOL
REFERENCE FCR FREE ENERGY FUNCTIONS FOR GASEOUS
S ELEMENT
REFERENCE FOR FR3E ENERGY OF FORMATION OF GASEOUS
OUS ELEMENT
7
7
FUNCTIONS FOR S I IDEAL.
HOKATOMIC GAS
CP.
GIBBS/POL
298.
588.
1888.
1590.
2880.
2580.
3888.
12.%93
19.621
28.01%
22.287
23.%%%
2%.172
2%. 622
-IG-H298I/T,
GIBBS/POL
62.293
69.533
81.919
9).-92
97.067
1 0 2 . 383
186.833
62.297
63.826
70.805
7S.%77
0B.C45
8%.B39
S7.%78
H-H298,
CIL/NOL
2853.
1191%.
22523.
3396%.
%SBS3.
58048.
-66-
FREE ENERGY OF
FORMATION,
CAL/MOl
-1J66%2.
-181788.
-8853%.
-7%732.
-59509.
-%8925.
-23317.
FREE ENERGY OF
-IG-H298I/T,
GIBBS/HOI
FORMATION,
CAL/MOL
%8.121
%0.713
1.2.73%
%%.28%
%5.%91
%6.%7*
1.7.318
97879.
89882.
72229.
5%892.
%»867.
26726.
13*99.
TABLE 4 . 0 0 ;
THEHK0OYMKIC FUNrTIONS FOR P<OH)2
IGI
IHTERHUCLE3R D I S T A N C E , AHGSTROnS
(1.590)
O - M - 0 BOND ANGLE, DEGREES
I1Z1.I
I 1 » I 2 * I 3 , G « 3 " CH»«6
2.939693-115
QUANTUM HEIGHT OF GROUNO STATE OF » ? H ,
2.
STRETCH FREQUENCY FRCH H - F , M W F 1105.
848.
STRETCHING FORCE CONSTANT, HaTHE/AHGSTROn
(4.411)
O - H - 0 BEMOIKG F37CE CONSTANT, NOYKE/AHGSTROH
(0.147)
H-0 A H T I S Y 1 » E T S I C STRETCH F R E O . ,
NAVE KCS
I 857.1
O - H - 0 BENDING FREQUENCY, HAVE NOS.
f 11"..>
H - 0 SYMMETRIC STRETCH FREQUENCY. HAVE HOS.
I 860.1
H-O-H BENQIKG FREQUENCY, HAVE H O S .
(1598.)
HEAT OF D I S S O C I A T I O N AT 2 9 S < TO X ( G ) Alto
[1991190.1
2 ( O H ) I G ) . CAL/HOL
REFERENCE FOR FRSE ENEFGT FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR F?=E ENERGY OF FOEHATIOH OF GASEOUS ELEHEHT
20
7
. . . . F U X C T I O N S FOR P I D E A L .
HOMTQHIC GAS
T K
C ,
GIBBS/HOL
13.178
15.892
20.078
22.134
23.459
24.181
24.6c9
298.
580.
1090.
1500.
2090.
2500.
3000.
TABLE 4 . 0 1 9
S
GIB9S/H0L
-IG-H298I/T,
GIB9S/H0L
67.393
74.868
87.354
95.944
102.525
107.844
112.295
67.393
65.915
75.216
88.812
85.453
89.414
97.867
H-H298,
CAL/HOL
FREE ENERGY OF
FORMATION,
CAL/HOL
0.
2941.
12068.
22698.
34149.
46074.
58285.
THERHOOYHAHIC FUNCTIONS FOR S C 0 H I 2
-15783.
-81782.
-72188.
-51433.
•30882.
-1C546.
9619.
-IG-H298I/T,
GIB8S/H0L
FREE ENERGY OF
FORXATICN,
CAL/ML
38.989
39.563
41.505
43.926
44.211
4«.176
45.997
69798.
63152.
45185.
3MB1.
3I9M.
23822.
16571.
CGI
IHTERHUCLEAi: D I S T A N C E , ANGSTROMS
11.619)
O - H - 0 B0N9 ANGLE. DEGREES
1129.1
I 1 » I Z » I 3 , G«»3 * C H « 6
3.211459-115
QUANTUM HEIGHT 3 F GROUHO STATE OF » 2 H ,
1 .
STRETCH FRECUENCY FRON H - F . NAVE H O S .
C 892.1
STRETCHING FORCE CONSTANT, KOTHE/AHGSTROH
14.9391
O - H - 0 BENOING F O « E CONSTANT, HOVNE/ANGSTROM
(1.164)
H - 0 I N n S Y H I T T R I C STRETCH F R E 3 . ,
HAVE NOS
f 959.1
O - H - 0 BENDING FREQUENCY, HAVE H O S .
C 152.1
H - 0 SYMMETRIC STRETCH FREQUENCY, HAVE H O S .
I 994.1
H - O - H BEN3IHG FREQUENCY, HAVE N O S .
(1665.1
HEAT OF D I S S O C I A T I O N AT 298K TO K t G ) ANO
1160109.)
2 I O H ) ( G ) , CAL/POL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR FREE ENERGY OF FORMATION OF GASEOUS ELEHENT
.FUNCTIONS FOR S I D E A L .
HOKATDNIC GAS
-CG-H2911/T,
Giaas/HOL
CF,
GIBBS/MIL
298.
591.
1999.
1599.
2111.
2500.
3000.
12.969
1 5 . ; . 50
19.-42
22.1C2
23.378
24.t27
24.-' 9 1
65.901
73.229
85.498
94.115
119.565
105.869
119.312
65.991
67.463
73.661
79.183
13.667
87.594
91.121
H-H299,
CAL/HOL
1.
2883.
11857.
22397.
33797.
45689.
57877.
-67-
FREE ENERGY OF
FORMATION,
CAL/HOL
-67992.
-62828.
-46517.
-241«2.
-2919.
19996.
41682.
-IG-H2981/T,
GI3BS/R0L
61.886
48.721
42.868
44.485
45.725
46.725
47.566
FREE ENERGY OF
FORMTZON,
CAL/HOL
57114.
51657.
37768.
31541.
23232.
15851.
•415.
TABLE
fc.Dll
THERMODYNAMIC FUNCTIONS FOR CM0HI2 IGI
INTERNUCLEAR DISTANCE, ANGSTROMS
2.201
O-H-O BONO ANCLE, DEGREES
1*9.
I 1 « I 2 » I 3 , S « 3 » CN»«6
1.377*99-11*
QUANTUM HEIGHT OF GROUND STATE OF *2H,
1.
STRETCH FREQUENCY FROM H-F, NAVE HOS.
587.
STRETCHING FORCE CONST «NT , «JVHE/AN6STR0H
(2.2951
O-K-0 BENDING FOWE CONSTANT, HDYHE/ANGSTRDN 11.0771
lt-0 1NTISYCKTRIC STRETCH FFEQ., NAVE NOS
*85.
O-H-0 BENDING FREQUENCY, NAVE HDS.
163.
H-O SYMMETRIC STRETCH FREQUENCY, U I E HOS.
55*.
H-O-H BENDING FREQUENCY, HAVE WIS.
11269.1
HEAT OF OISSOCUTIOH I T 298K TO N(G1 (NO
28*111.
ZIOHI IGIt CAL/HOL
REFERENCE FOR F7EE ENERGY FUNCTIONS FOR GASEOUS
IS ELEMENT
REFERENCE FCR R E E ENERGY OF FORMATION OF GASEOUS
.CJU5 ELEMENT
ELEMENT
65
63
28
7
6*
6".
6*
36
2*
23
FUNCTIONS FOR C» IDEAL.
KNATOHIC G»S
-IG-H21S1/T,
CP,
GIBBS/rOL
GIBBS/MOL
lk.6*3
IT.373
21.819
22.628
23.689
2*.332
2*.736
68.538
76.796
90.171
98.883
115.551
110.412
115. 386
298.
51«.
1090.
ISOt.
2010.
2500.
3000.
TABLE * . 8 «
GIBBS/HDL
68.530
78.296
77.1*7
83.113
91.936
95.681
H-K29S,
CAL/HOL
FREE ENERGY OF
FREE ENERGY CF
FORMATION,
C1L/M0L
6.
3251.
12923.
23821.
35*21.
*7**8.
5971*.
-(C-H298I/T.
GIBBS/MX.
FORMATION,
CAL/MOL
36.992
37.556
39.518
*1.I38
*2.22l
*3.t91
**.tlt
3*311.
28931.
16351.
53*1.
1.
1.
1.
-136262.
-131553.
-UB771.
-11***1.
-8*628.
-59637.
-1*775.
THERMODYNAMIC FUNCTIONS FOR SCIOHI2 IGI
INTERNUCLEAE OISTANCE, ANGSTROMS
12.0081
O-H-O BONO ANGLE, DEGREES
135.
I 1 M 2 M 3 , G»*3 • CH»»6
9.7*3791-115
QUANTUM NEIEHT 9F GROUND STATE OF »?M,
STRETCH FRECUEN2T FROM N-F, HAVE NOS.
7**.
STRETCHING FORCE CONSTANT, MOTNE/ANGSTRON
13.8161
O-N-0 BENDING m C E CONSTANT, HOYHE/AHGSTRON (1.127)
H-O MTtSTIHETRIC STRETCH FREQ., HAVE NOS
I 715.)
O-M-0 BENDING FREQUENCY, HAVE NOS.
( 129.)
H-O SYHHETtIC STRETCH FREQUENCY, NAVE NOS.
781.
H-O-H BCMDING FREQUENCY, HAVE HOS.
(155*.)
HEAT OF OJSSOCJATION AT 298K TO «"IGI AND
(258008.1
2I0H» ( 6 1 , C A l / M L
REFERENCE FOR REE ENERGY FUNCTIONS FOR GASEOUS
IS ELEMENT
ELEMEHT
REFERENCE FOR R E E ENERGY OF FORMATION OF GASEOUS
OUS ELEMENT
*.
63
29
53
63
23
23
FUNCTIONS FOR SC I0EAL.
FONATONIC GAS
GIBBS/POL
298.
581.
1*11.
1511.
2000.
2508.
3018.
13.612
16.129
28.109
22.2*0
23.460
2*.181
2 * . 629
GIBBS/MOL
N-H298,
CAL/HOL
71.376
73.012
79.*09
86.977
69.635
93.612
97.17*
0.
3811.
12187.
2282*.
3*277.
*6202.
56*13.
-IG-H29BI/T,
G I B B S / IKJL
71.376
79.133
91.596
100.193
106.77*
112.393
116.3*5
-68-
FREE ENERGY OF
FORMATION,
CAL/HOL
-135611.
-13188*.
-121851.
-119*59.
-96719.
-S2716.
-661*1.
-(G-H298>/T,
GIBBS/HOL
*1.7*B
*2.337
**.352
*5.B97
*7.89*
*8.871
H6.9K
FREE ENERGY OF
FORKATICN,
C1L/HOL
683*2.
736*6.
57*98.
*199*.
27752.
1*921.
2522.
TABLE " . . 0 1 3
T H E R H O 0 T H M I C FUNCTIONS FOR T I I 0 H I 2
(CI
IMTERKUCLEIR D I S T A N C E , ANGSTROMS
1.950
0 - » ' - 0 BOND I N G L E , DECREES
130.
9.7578*5-115
I 1 » I 2 » I 3 , G » 3 • CM"6
QUINTim HEIGHT OF GRCUNO STATE OF « ? H ,
5.
STRETCH FREQUENCY FROM H - F i M K E H O S .
591.
STRETCHING FORCE CONSTANT, HOYN£/ANGSTROK
(2.**ll
O - H - 0 BENDING F 0 1 C E CONSTANT, KDYHF/AHGSTRON
CO.BSII
M-0 ANTISYMMETRIC STRETCH F R E O . ,
HAVF NCS
6*3.
D-H-Q BENDING FIEO.UEHCY, IUVE H D S .
176.
K - 0 SYMMETRIC STRETCH FREGUEKCY, HAVE H O S .
753.
H-O-H BENOIGG FREQUENCY, HIKE HOS.
11228.1
HEAT OF D I S S O C I A T I O N AT Z9SK TO B ( G I M O
(2*0088.1
2 I O H I I G I , CAL/MOL
REFERENCE FOR R E E ENERGY FUKCTIOKS FOR GASEOUS
ELEMENT
IS ELEMENT
REFERENCE FCR R E E EHEHGY OF FORMATION OF
:ous ELEHEHT
7
63
20
7
63
63
63
7
7
FUNCTIONS FOR T I I D E A L .
KOHATOHIC GAS
CP,
GIBBS/POL
13.925
17.32*
20.737
22.585
23.670
2*.T20
2I..727
298.
500.
1000.
1500.
2000.
2501.
3001.
TABLE * . 8 1 *
-(D-H?95irr,
GIBBS/HOL
70.892
78.882
92.023
100.815
107.1.71.
112.8 32
117.305
70.892
72.590
79.293
85.079
89.879
93.952
97,*82
H-H29S,
CAL/HOL
FREE ENERGY OF
FORMATION,
CAL/HOL
311.6.
12731.
23603.
35190.
1.7201.
S9*71.
THERNODYNAHIC FUNCTIONS FOR V I 0 H I 2
-IG-H2981/T,
GIBBS/HOL
-11)3062.
-99391..
-89156.
-77978.
-6623k.
•S3261.
-*6875.
1.3.866
*?.7C6
i.5.833
1.7.1.38
••8.692
•.9.71.8
50.659
FREE ENERGY OF
FORMATION,
CAL/HOL
1023**.
95161.
77796.
61326.
*5S20.
3181.1.
16TS1.
IGI
REFERENCE
1.768
INTERHUCLEAR D I S T A N C E . ANGSTROKS
150.
O - N - 0 BOND ANGLE. OEGREES
3.092562-115
1 1 * 1 2 * 1 3 , G « 3 • CN»»6
QUANTUM HEIGHT OF GROUND STATE OF * 2 H ,
( 697.1
STRETCH F R E O U E W t FROM H - F , NAVE H O S .
(3.6571
STRETCHING FORCE CONSTANT, NOYNE/AHGSTROH
O - H - 0 BEHOIHG F O V E CONSTANT, HOYME/AHGSTROH
16.1151
H - 0 ANTISYHHETRIC STRETCH F « E Q . ,
HAVE NOS
1 671.1
O - H - 0 BENDING FREQUENCY, HAVE HOS.
156.
71.3.
H - 0 SYMMETRIC STRETCH FREQUENCY, HAVE NOS.
H-O-H BENDING FREQUENCY, HA'.E H O S .
(1396.1
HEAT OF D I S S O C I A T I O N AT 298K TO H I G I AND
(235180.1
2COH! I G I , CAL/HOL
REFERENCE FCR R E E ENERGY FUNCTIONS FOR GASEOUS
ELEMENT
IS ELEMENT
REFERENCE FCR R E E ENECGY OF FORMATION OF GASEOUS
rOUS ELEMENT
*.
IB
63
20
63
63
23
23
FUNCTIONS FOR V I D E A L .
HOIATOHIC GAS
-IG-H296I/T,
6IBBS/H0L
CP,
GIBBS/HOL
298.
500.
1008.
1500.
2000.
2500.
3008.
13.691
16.510
20.61*
22.412
23.566
21..252
2*.679
69.765
77.5*6
30.377
99.070
105.698
111.029
115.1.91
69.765
71.1.23
77.9*9
63.615
88.339
92.361
95.85*
H-H298,
CAl/WJL
e.
3862.
12*26.
23181.
3*762.
1.8678.
58911.
-69-
FREE ENERGY OF
FORMATION,
CAL/HOL
-879*8.
-3*118.
-73389.
-61982.
-58059.
-3587*.
-23981.
-IG-H298I/T,
GUBS/HOL
*3.5**
**.226
1.6.552
49.359
*9.7B*
51.3**
51.892
FREE ENERGY OF
FORRATION,
CAl/HOL
111979.
16*993.
86580.
68722.
51**1.
35**1.
282*6.
TABLE "..015
THERK00TNUIIC FUNCTIOHS FO? CR<OH)Z [SI
REFERENCE
IHTERNUCLE*R DISTANCE, ANGSTROMS
1.720
0-H-0 BONO AHGU, DEGREES
ISO.
I l » I 2 » I 3 , i » " 3 • CH"6
7.975867-116
QUANTUM HEIGHT 3F GROUXO STATE OF » 7 " ,
1.
STRETCH FREOUSCr FROM H-F, HAVE NOS.
( 759.1
STRETCHING FO^CE CONSTANT, 'OYNF/ANSSTROe
(*.12*>
0-H-O BENDING FO*GE CONSTANT, HnTNf/ABGSTRO'f (1.1371
H-0 ANTISYHKETRIC STRETCH FREO.t HAVF NOS
I 731.1
O-H-0 BENDING FREQUENCY, NAVE NOS.
151.
KM) STHKETRIC STRETCH FREauENCT, NIKE NOS.
6S0.
M-O-H BENDING REO.UEHCY, HAYE NOS.
I15S9.1
HEAT OF DISSOCIATION I T 290K TO HIG> MID
ciasiio.i
2 I 0 H I CGI, CALS10L
REFERENCE TOR FIEE ENERGT FUNCTIONS FOR GASEOUS
S ELEMENT
ELENEHT
REFERENCE FOR REE ENERGT CF FORMATION OF GtSEOOS
OOS ELEMENT
ELEMENT
ia
63
21
63
63
23
23
FUNCTIONS FOR CR IDEM..
HONATOHIC M S
-IG-H298I/T,
GIBBS/ML
FREE ENERGY OF
FORMTtOH,
ML/ML
*1.63*
*2.197
**.160
*5.60*
*6.090
*7.907
8*270.
77055.
55602.
*3000.
27100.
12531.
FREE ENERGT OF
T K
CP,
GIBBS/rOL
13.606
16.223
20.15
22.750
23.*91
24.202
2*.6*3
298.
500.
1000.
1S08.
2001.
2500.
3000.
TABLE t . I l i
65.061
73.5*3
66.170
51.002
101.395
106.720
111.17*
-fG-H298)/T,
GIBBS/MOL
H-H29B,
CIL/NOL
65.061
67.501
73.929
79.522
0k.199
00.100
91.650
3021.
122*9.
22919.
3*392.
*6330.
505*9.
a.
FORMATION,
CAL/HOL
•65063.
-61710.
-*6579.
-3550*.
-21906.
•69**.
10007.
*a.oi7
t.
THERMODYNAMIC FUNCTIONS FOR MNCOHI2 (G)
REFERENCE
IHTERHUCLEIR DISTANCE, ANGS1R0HS
1.720
O-H-0 BONO AMGLi, DECREES
100.
I 1 » I 2 » I 3 , G»»3 • CH"6
7.9775*0-116
QUANTUM HEIGHT OF GROUND STATE CF * 2 H ,
6.
STRETCH FREQUENCY FROM N-F> N1VF NO*.
1 75*.1
STRETCHING FOVS CONST I N T , HOVNF/ANGSTROH
C*.12*>
O-H-0 BENDING FM5E CONSTANT, HPYNESAHGSTROH (0.1371
H-0 ANTISYMMETRIC STRETCH FRED., N1VE HOS
« 727.1
O-N-O BENDTKG FREQUENCY, HIVE NOS.
132.
H-0 SYMMETRIC STRETCH FRtOUENCT, NAVE NOS.
722.
H-O-H BENDING REOUEHCY, HOVE NOS.
(1519.1
HEAT OF DISSOCIATION AT 29BK TC HIGI AND
ci9aooo.i
2C0H1 I G I , CAL/MOL
REFERENCE FCR REE ENERGY FUNCTIONS FOR GASEOUS
IS ELEMENT
ELEHENT
REFERENCE FOR R J E ENERGY OF FORMATION OF GASEOUS
OUS ELEHENT
ELEHENT
10
63
20
63
63
23
23
FUNCTIONS FOR KN IDEAL.
KONATONtC GAS
CP,
GIBBS/rOL
298.
50B.
1000.
1500.
2000.
2500.
3000.
13.573
16.169
20.103
22.'B*
23.*87
26.208
2*.6*2
GIB9S/H0L
-(6-H29M/T,
6IBBS/M0L
1(41290,
CAL/HOl
70.015
77.678
90.296
98.917
105.508
110.833
115.287
70.015
71.650
7B.066
03.653
08.325
92.311
95.718
0.
301*.
12231.
22097.
3*367.
*6303.
55522.
•70-
FREE ENERGY OF
FORMATION,
CAl/HOL
-906**.
-9*660.
-03200.
-7(233.
-55076.
-35327.
-0199.
•IG-H29BI/T,
Giaos/im.
*1.*9B
*z.oeo
**.030
*5.5*B
*6.730
*7.698
*S.500
FREE ENERGY OF
FORMATIC*,
CAL/HOL
56976.
502*0.
3*321.
19770.
7501.
0.
I.
TABLE 4.017
THERMODYNAMIC FUNCTIONS FOR FE(0H)2 (Gl
I N T E R H K L E A R DISTANCE, ANGSTROHS
1.818
O-H-0 BONO AHGLE, DEGREES
ISO.
I 1 * I 2 » 1 3 , G « 3 • CH»«6
9.5*5588-116
QUANTUM HEIGHT ] F CSOUNO STATE OF * i - i ,
9.
STRETCH FRECUEICT FROH 8 - r , H1VF NOS.
( Mil.)
STRETCHING FORCE CONSTANT, MOYHF/INGSTROM
(2.9261
O-K-0 SEN3IIE FDWE CONSTANT, NDVNE/tNCSTRON ( 0 . 8 9 7 1
H-0 ANTISYMMETRIC STRETCH FREO., NAVf NCS
( 612.1
O-H-0 SENDING RS1UENCT, HAKE NOS.
1*8.
H-0 SYMMETRIC STRETCH FSEQUEHnr, NAVE NOS.
753.
H-O-H BEN3IHG R M U E K C t , HAVE HOS.
(1297.*
HEAT OF OISSOCIlTIaH AT 298K TO «(GI AND
i96%ia.
ziaei t o , CAL/HDL
S ELEMENT
REFERENCE FCR F7££ ENERGT FUNCTIONS FOR GASEOUS
OUS ELEMENT
REFERENCE FCR F7EE ENESGT OF F09HATIOH OF GASEOUS
*9
63
26
63
63
*9
7
7
FUNCTIONS FOR FE IDEAL.
ROUTOHIC GAS
CP,
GIBBS/KOL
290.
SOD.
13.9*3
16.969
200B.
1530.
3000.
23.-3*
2*.297
2*.710
laoa. 2 8 . 6 2 6
isoo. 2 2 . 5 2 5
TABLE * . B U
-IG-H2981/T,
GI8DS/KQL
73.776
73.718
91.757
180.511
107.151
112.512
116.491
70.770
72.(63
79.117
St.867
89.6*3
93,699
97.217
H-H298,
CAL/HOL
8.
3128.
126*8.
23*71.
3583S.
*7632.
59291.
FREE ENERGY OF
FORMATION,
CAL/HOL
-(C-H298IST,
CI94S/ML
*1.112
*3.8B6
*6.1M
*7.«78
*9.167
58.257
51.169
-73163.
-69622.
-59*«.8.
-*7731.
-35073.
-2126*.
-7116.
FREE ENERGY OF
FORMTION,
CAL/HOL
88593.
SUM.
63*61.
66998.
31627.
1751*.
18*9.
THERHOOYHAHIC FUNCTIONS FOR C0C0H12 (Gl
REFERENCE
INTERNUCIE1R DISTANCE, ANGSTROMS
1.888
O-H-0 BONO ANGLE, DEGREES
188.
t l » I 2 » I 3 , G»»3 * C H " 6
9.5*7517-116
QUANTUM HEIGHT OF GROUNO STATE OF »2H,
It.
STRETCH FREOUENSY FROM N-F, HAVE NOS.
I 638.1
STRETCHING FORCE CONSTANT, HOYHE/ANGSTROH
(2.9261
0 4 - 0 BEN:: " FORCE CONSTANT, NDVNE/ANGSTRON (8.0971
H-0 A N T I S Y f r t » . - " STRETCH FREQ., NAVE NOS
( 688.1
O-H-O BENDING R-JUENCY, HAVE HOS.
158.
H-0 SYKHETRIC STRETCH FREQUENCY, HAVE HOS.
7*6.
H-O-H BENDING FREQUENCY, HAVE NOS.
(1297.1
HEAT OF DISSOCIATION AT 296K TO M G I AND
183988.
2(OH> ( G l , CAL/HOL
REFERENCE FOR FREE ENERGT FUNCTIONS FOR JASEOUS
IS ELEMENT
REFERENCE FOR FREE ENERGT OF FORHATION OF CASEOUS
OUS ELEMENT
69
63
28
63
63
*9
23
S3
FUNCTIONS FOR CO I O C A L . . . .
HONATONIC U S
.
-(G-H298I/T,
GIB8S/MOL
CO,
GIBBS/MOL
298. 1 3 . 9 * 8
588. 1 6 . 8 7 5
1688. 2 8 . 6 2 9
1588. 2 2 . 5 2 7
2883. 2 3 . 6 3 5
2588. 2 * . : 9 T
3086.
2*.711
74.867
7B.MT
91.858
188.616
167.263
112.61*
117.C83
78.867
72.568
79.215
8*.967
69.7*3
93.618
97.316
H-0296,
CAL/HOL
I.
3129.
126*3.
23*75.
35639.
*7B36.
S929S.
-71-
FREE ENERGY OF
FORMATION,
CAl/nOL
•57*98.
•53853.
-*3587.
-32116.
-19*7*.
•5367.
6895.
-(6-H2981/T,
«BHS/mt
FREE ENERGT OF
FORMATION,
CAL/HOL
67.879
63.527
*5.466
67.787
69.271
58.699
51.583
91756).
6*576.
67108.
58287.
3*658.
266 I B .
5781.
TABLE t . M ?
THERMODYNAMIC FUNCTIONS FOR HII0HI2 IGI
INTERMUCLEA* DISTANCE, ANGSTROMS
t.sts
O-H-0 BONO ANCLE, DECREES
178.
I 1 » M » I 3 , r.*»3 • C N " 6
1.359256-115
QUANTUM HEIGHT 3F CROUHO ST*TE OF *?H,
9.
STRETCH FRECUEKY FROM H-F, HAVE PCS.
( 6J0.J
STRETCHING FORCE CONSTANT! HDTNE/ANGSTKOH
12.926)
O-H-0 BEN3IW FORCE CONSTANT , H0THE/AH6STR01 ( 6 . ( 9 7 1
H-0 AKTISViKETRIC STRETCH FREQ.. HAVF NOS
1 609.1
O-H-O 8EM3IMG FREQUENCY, HAVE NOS.
1*3.
H-0 SVHHETRTC STRETCH FREOUEHCV, KWE HOS.
H-O-H BENDING FREQUENCY, HAVE "OS.
11297.1
HEAT OF DISSOCIATION AT 298K TO HIG) AND
182*06.
2C0H> CGJ, CAL/MOL
REFERENCE FCR FREE ENERGY FUNCTIONS FOR GASEOUS
IS ELEMENT
REFERENCE FOR FREE ENERGY OF FORMATION OF GASEOUS
OUS ELEMENT
m.
69
63
20
63
63
*9
23
23
FUNCTIONS FOR NI IDEAL.
HOHATOHIC GAS
-CG-H2961ST,
GTBBS/HOL
CP.
GIBBS/POL
291.
511.
till.
1MB.
2(11.
Hit.
3111.
13.876
1 6 . 81*
21.666
22.516
23.628
I*.293
26.700
TABLE * . 0 2 9
71.330
79.2l.li
92.258
m.o«9
117.653
113.113
117.672
71.336
73.11*
79.6*6
65.367
9B.1S6
9*.2*0
9T.723
K-H296,
CAL/MOL
t.
3115.
12611.
23*3*.
3*995.
*6«60.
591*6.
FREE ENERGY OF
FORMATION.
CAUHOL
-IG-H2981/T,
GIBBS/NOL
FREE ENERGY OF
FORMA TI ON,
CAL/HOL
-558*7.
-S2276.
-*197t.
-318*9.
•16611.
•5311.
615*.
*3.516
**.1S9
*6.*52
*6.HI
65.637
51.7*7
51.676
9195*.
6*665.
67116.
51191.
3*226.
195 I S .
K52.
THERMODYNAMIC FUNCTIONS FOR CUIOH12 IGI
1.721
INTERNUCLE1K DISTANCE, AN6STR0NS
170.
O-H-0 BONO AN6LE, DEGREES
1.119696-115
U * I 2 » 1 3 , G « 3 • CH»«6
QUANTUM HEIGHT OF GROUND STATE OF »2H,
6.
STRETCH FREQUENCY FROM H-F, HAVF HOS.
622.
STRETCHING FORCE CONST ANT, HDYNE/ANGSTROM
12.96(1
O-H-0 BENDING FORCE CONSTANT, MOVE/ANGSTROM (6.0971
H-0 ANTISYMMETRIC STRETCH FREO., HAVE NOS
1 652.1
O-M-0 BENDIAG FREQUENCY, HAVE NOS.
166.
H-0 SYMMETRIC STRETCH FREOUENCT, NAVE HGS.
766.
H-O-M BENDING FREQUENCY, HAVE DOS.
11265.1
HEAT OF DISSOCIATION AT 298K TO HIGI ANQ
11*5100.1
*
2C0HI 1 6 1 , CAL/MOL
IS 'iLENENT
REFERENCE FOR FREE ENE GY FUNCTIONS FOR GASEOUS
REFERENCE FOR FREE ENERGY OF FORMATION OF GASEOUS
OUS ELEMENT
18
63
21!
7
63
63
7
7
FUNCTIONS FOR CU IDEAL.
MOHATOHIC GAS
CP.
GIBBS/MQL
296. 13.9*5
511. 1 6 . 9 * 3
1666. 2 6 . 6 8 1
1566. 2 2 . 5 5 5
2100. 2 3 . 6 5 2
2566. 2 * . ' 6 8
3116. 2 6 . 7 1 9
S
GIBBS/MOL
-IG-H298I/T,
GIBPS/HOL
69.959
77.931
9 1 . J 21
99.795
106.6*6
111.802
116.273
69.999
71.655
78.33*
66.163
88.691
92.955
96.666
H-H298,
CAl/HOL
6.
313S.
12697.
23538.
35113.
*7»1T.
59381.
-72'
FREE ENERGY OF
FORMATION,
CAL/HOL
-39617.
-356*5.
-2*766.
-130S7.
-261.
12636.
29523.
-IG-H2981/T,
GI3OS/M0L
39.7**
«e.3(7
*2.269
63.791
**.97S
*5.9**
*6.77*
FREE ENERGY OF
FORMATION,
CAL/HOL
71511.
651*2.
*9791.
352*7.
21939.
6932.
6.
TABLE I.. 021
THERMODYNAMIC FUNCTIONS FOR ZHI0HI2 IGI
REFERENCE
1.41J
IHTERNUCLEAR 0I3TAHCE, ANGSTROMS
O-H-0 BONO ANGLE, DEGREES
iro.
I 1 » I 2 » I 3 , G»*3 • C H « 6
1.610697-115
QUANTUM HEIGHT DF GROUND STATE OF *2fl,
i.
STRETCH FRECUENSY FROM H-F, NAVE HDS.
C 611.)
STRETCHING FORK CONSTANT, HQYHE/ANGSTROM
(2.811)
O-H-0 BEHDIAS FOWE CONSTANT, HDYNE/ANGSTRO* C0.B96)
H-0 ANTISYMMETRIC STRETCH FR£Q., HIVE NOS
f 591.1
O-K-0 BEH91KS FREQUENCY, NAVE MOS.
165.
H-0 SYMMETRIC STRETCH FREQUENCY, NAVE HOS.
7 81.
H-O-n BENDING FREQUENCY, HAVE NOS.
(1276.)
HEAT OF CISS0CI4TX0M AT ZHSK TO M(GI AK3
usaaoo.i
ZIOH) ( G l , CAL/rOL
REFERENCE FOR FR£E ENERST FUNCTIONS FOR GASEOUS
IS ELEMENT
REFERENCE FOR FREE ENERGY OF FORMATION OF GASEOUS
lOUS ELEMENT
ELEMENT
IS
63
za
63
63
26
33
FUNCTIONS FOR ZK IDEAL.
K1IUT9MT.C GAS
CF,
GIBBS/KOL
298.
590.
1000.
1500.
2000.
251S.
3006.
13.°<i7
16.920
2G.-.62
22.'65
23.666
26.106
26.716
TABLE 6.022
-(G-H29S1/T,
GIBBS/NIL
66.850
71.. 81.1,
87.916
96.6*6
103.33$
138.688
113.159
66.840
68.575
75.266
81.088
8S.792
89.853
93.375
H-H298,
CAL/HOL
FREE ENERGY DF
FORMATION,
CAL/MOL
-CG-H298)/T,
GIBRSVKOL
-92835.
-1713*.
-73661.
-58596.
-23591.
3219.
2936k.
35.652
34.516
60.977
•.2.511
63.690
66.651
65.650
0.
313k.
12670.
23515.
35666.
1.7087.
59350.
FREE ENERGY OF
FORMATION,
CAL/KOL
22750.
17060.
6320.
0.
0.
0.
0.
THERMODYNAMIC- FUNCTIONS FOR GA(OH}2 CGI
IHTcRHUCLEAR DISTANCE, ANGSIROHS
(1.778)
O-H-0 BONO ANGLE, OEGREES
(120.1
U»I2»I3, G « 3 • CH«6
7.905268-115
QUANTUM HEIGHT 3F GROUND STATE OF >2R,
2.
STRETCH FREQUENCY FROM H-F, NA«E NOS.
562.
STRETCHING FORG CONSTANT, M1YHE/AHGSTROH
(2.2661
O-H-0 BENDING FORCE CQ1STANT, HOYHE/AHGSTRON
(0.0751
H-0 ANIIST1FETRIC STRETCH FREO., HAVE HOS
I 525.1
O-H-0 BENDING FREQUENCY, HAVE NOS.
I 55.1
lf-0 SYMMETRIC STRETCH FREQUENCY, HAVE NOS.
( 560.)
N-O-H BENDING FREQUENCY, HAVE NOS.
(1129.1
HEAT OF DISSOCIATION AT 298K TO H(GI AND
(191000.1
2(0H1 ( G ) , CAL/HOL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR FR.EE ENERGY OF FORMATION OF GASEOUS ELEMENT
20
7
26
23
.FUNCTIONS FOR GA IDEAL.
HOHATOHIC GAS
-(G-H2981/T,
GIBBS/HDL
GIBBS/HOL
296. 16.975
500. 17.833
1000. 21.066
1500. 22.767
2000. 23.766
2500. 26.3S2
3000. 26.770
72.695
81.100
96.786
103.593
110.269
115.666
120.167
77.695
76.506
•1.521
87.678
92.378
96.516
101.091
H-H298,
CAL/NOL
FREE ENERGY OF
FORMATION,
CAL/MOL
-(G-H29SI/T,
GIBBS/NOL
-J6735.
-9596-J.
-83688.
-78697.
-57168.
-66959.
-20383.
SB.176
61.091
6J.S75
65.663
66.769
67.869
68.750
6.
3337.
13186.
26173.
35822.
67871.
66166.
-73-
FREE ENERGY OF
FORMATION,
CAL/NOL
saoit.
50068.
37951.
25250.
12761.
611.
8.
TABLE "..023
THERH00TNAHIC FUNCTIONS FOR GEIOHIZ (CI
REFERENCE
IHTERHUCLEHO DISTANCE, AHG5TR0HS
O-M-0 BONO INGLE. DEGREES
iflfa,
1.71,5
ss
9*.
r.»»3 * c««6
61
8.3729*2-115
QUAHTU1 WEIGHT OF CR0UT:3 SI»IE OF WH,
1.
S T R E K I F R E C U E I C T FROH H - F , NAYF K O S .
STRETCHING FORCE C O N S T A N T , HDYHE/AHGSTROB
O - K - C BEMAIKG FORCE CONSTANT, KOYHE/AHGSTSO*
H - 0 UNTISTHHETRIC STRETCH F R E O . .
HAVF NGS
O - H - 0 BENDING R M U E N C T , NAVE N O S .
H - 0 SYMMETRIC STRETCH FREQUENCY, U V E N O S .
H - O - H BENOICG FREQUENCY, NAVE N Q S .
H U T OF D I S S O C I A T I O N XT Z 9 8 K TO HCGI AHO
28
1 700.1
(3.7711
(8.1261
655.
C 123.J
6»5.
(1**9.1
(185800.1
63
63
2C0H1 CGI, CALVrOL
REFERENCE FOR FRSE ENERGY FUNCTIONS FOR GASEOUS
S ELEhENT
ELEhENT
REFERENCE FOR F U E ENERGY OF FORMATION OF GASEOUS
OUS ELEHEJT
ELENEIT
23
23
FUNCTIONS FOR GE IDEAL.
HOKATOHIC GAS
CP,
GIBBS/POL
GIBBS/HOL
-(G-H29SI/T,
GIBBS/HOL
13.051
16.*B7
20.3*8
ZZ.372
23.5*1
21..7 35
26.867
69.870
77.686
9'J.*71
99.1*2
1(5.753
111.087
115.5*7
69.878
71.538
78.06*
83.720
86.*3*
92.**9
95.937
298.
500.
1000.
150*.
2009.
2500.
3000.
TABLE * . « »
H-H29S,
CAL/HOL
FREE ENERGY OF
FORHATION,
CAL/HOL
3;7*.
12*07.
2313*.
3*638.
*6596.
58830.
FREE ENERGY OF
-16-H>.9B>/T.
GIBBS/KOI
FORKV.KM,
*D.1B3
*B.9*2
W.TS9
*S.782
*7.27Z
*B.**6
*9.*15
79761.
73*71.
5617*.
*1*»Z.
28*20.
1S»*0.
1728.
-7122*.
-673*1.
-56627.
-*3Z5B.
-28293.
-132*8.
1793.
CAl/KOL
THERMODYNAMIC FUNCTIONS FOR AS (OH) 2 (C)
INTERNUCLE4R 0I3TAHCE, ANGSTROMS
(1.6901
O-H-0 BOND ANGLE, DEGREES
(1211.1
I 1 * I 2 » I 3 , G»»3 • C H " 6
5.927S78-11S
QUANTUM HEIGHT 3F GRQUN3 STATE OF *2M,
2.
STRETCH FRECUEICY FROH M-F, NAVE NOS.
( 802.)
STRETCHING FORCE CONSTANT, HOYNE/AHGSTRON
(*.975t
0-11-0 SENDING FORCE CONSTANT, HOYNE/AHGSTRO*
(0.1661
H-0 ANTISYHrtTRIC STRETCH FREO., HAVF NOS
( 778.1
O-H-0 BENOIHG FREQUENCY, HAKE NOS.
( 1*1.1
H-0 STHHETRIC STVTCH FREQUENCY, NAVE HOS.
( 798.1
H-O-H BENDING FREQUENCY, HAKE NOS.
11639.)
HEAT OF DISSOCIATION AT 298K TO HCGI AND
(178000.1
2 COM ( G ) , CALSHOl
REFERENCE *OR R E E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR F»EE ENERGY OF FORHATIOK OF GASEOUS EUKENT
Z*
2*
.FUNCTIONS FOR AS IDEAL.
FONATOHIC GAS
298.
SOB.
180B.
1508.
2008.
2588.
3800.
C=>,
GIBBS/HOL
S
GIBaS/ITOL
- ( 0 * 2 9 5 1 #T,
GIBBS/HO'
H-H298,
CAL/HOL
13.2E2
15.723
19.865
22.1C5
23.378
2*.127
2*.550
73.181
77.635
89.961
9S.*83
105.833
110.337
11*.781
7B.1S1
71.773
78.019
8?.*91
88.889
9Z.025
95.*58
8.
2931.
119*2.
22*88.
33888.
*S780.
S7968.
-74-
FREE ENERGY OF
FORMATION,
CAL/HOL
-76530.
-72*56.
-6571*.
-«*S62.
-2*188.
-3726.
16562.
-(G-H298I/T,
GIBPS/HOL
FREE ENERGY OF
FORMATION,
CAL/HOL
*1.614
*2.1S«
**.1*0
*5.668
••6.858
*7.BZ0
*8.6*8
59098.
52*53.
31657.
2*718.
17678.
10561.
3376.
TA8LE 4 . 0 2 5
THERMODYNAMIC FUNCTIOUS FOB S E I 0 H 1 2 [ G l
I K T E R N U C L E l * 1 I S T A H C E , ANGSTROMS
(1.760)
O - N - 0 BONO ASSLE, OEGREES
(120.1
11*12*13, G " ** CH**6
7.870303-115
OUANTUH HEIGHT a f GROUND S I » T E OF *7!H,
1 .
STRETCH FRECU2HIY FROM M - F , HIVE NOS.
( 665.1
STRETCHING FORCE CONSTANT, HOYNE/ANSSTROH
(3.4571
O - M - 0 BENDING F3-JCE CONSTANT, MOTHE/ANGSTROM
(0.115)
M-0 ANTISYMMETRIC STRETCH F n E O . ,
H I V E NOS
( 61.6.)
O - H - 0 BEHDIHS RE11UEHCY, M « E NOS.
( 117.)
H - 0 SYHHET. I C STRETCH FREQUENCY, HAVE NOS.
( 661.1
H-O-H BENDING R E O U E H C Y , HAVE NOS.
(1395.1
HEAT OF D I S S O C I A T I O N AT 29SK TO H ( G ) AND
(120038.)
2 ( 0 " ) ( G l , CAL/HOL
REFERENCE FCR R E E ENERGY FUNCTIONS FOR GASEOUS ELEHEHT
REFERENCE FOR R E E EME9GY OF FORHATI.H OF GASEOUS ELEMENT
2t
24
.FUNCTIONS FOR SE I D E A L .
HOHATOMIC GAS
GIB6S/M0L
298.
5C0.
1D00.
1500.
2nac
2500.
3000,
13.9e3
16.6«1
20..70
22.4 58
23.581
24.761
26.685
TABLE 4 . 0 2 6
GI39S/H0L
-(G-H298)/T,
GIBRS/MOL
70.263
75.166
91.068
99.7'7
106.1.03
111.71.1.
116.20s
70.?63
71.91.9
71.51.1.
84.246
88.990
93.024
9F.S27
H H29S,
CAL/HOL
FREE ENERGY OF
FORMATION,
CAL/HOL
-(G-H298I/T,
GIB3S/K0L
FREE ENERGY OF
FORMATION,
CAL/HOL -
-.2.218
42.781
44.820
46.468
47.778
4)5.848
49.730
39841.
33465.
19851.
132B1.
6131.
-636.
•771J.
-45632.
-41233.
-27365.
-6312.
14503.
35131.
55537.
0.
3108.
12524.
23296.
34826.
46000.
S96"!*.
THERHODYNAHIC FUNCTIONS FOR S R ( O H ) Z (G>
IHTERNUCLEAR O I S T A N C E , ANGSTROMS
2.100
O - H - U BOND ANGLE, DEGREES
IBS.
11*12*13, G**3 * CH»*6
2.588817-114
QUANTUM HEIGHT OF GROUHO STATE OF » 2 H ,
C 1.)
STRETCH FRECUENCY FROH H - F , NAVE NOS.
( 5Z0.I
STRETCHING FORCE CONSTANT, HOYHE/ANGSTROM
(2.152)
O-N-O BEH3ING FORCE CONSTANT, HDYNE/ANGSTROH
(0.072)
N - 0 A N T I S T H r e T R I C STRETCH F S E Q . ,
NAVE NOS
441.
O - N - 0 BEMDIKG FREQUENCY, HAKE NOS.
82.
H - 0 SYMMETRIC STRETCH FREQUENCY, NAVE N O S .
442.
H-O-H BENl.IHG R E Q U E N C T , HAVE NOS.
(1192.)
HEAT OF D I S S O C I A T I O N AT 298K TO H ( G ) ANO
282080.
2 ( O H ) ( G l , CAL/HOL
REFERENCE FCR F * E E ENERGY FUNCTIONS FOR GASEOUS
is ELEMENT
REFERENCE FOR R E E ENERSY OF FORMATION OF GKSEOUS
ELEHERT
BUS ElEHERT
65
63
64
64
64
36
7
7
FUNCTIONS FOR SR I O E A L .
KONATOHXC GAS
CP,
GIBBS/KOL
298.
500.
1000.
1500.
2000.
2500.
3000.
15.259
17.821
21.008
22.715
23.745
24.369
24.7E1
-(G-H29S)/T,
GIBBS/«OL
74.057
82.602
96.C?1
104.960
111.649
117.020
121.EOC
74.057
75.8*7
82.913
88.864
93./5S
97.891
101.463
H-H298,
CAL/NOL
FREE ENERGY OF
FORMATION,
CAL/HOL
0.
3358.
13178.
24144.
35781.
47822.
61111.
-13BZ61.
-134230.
-123819.
-110801.
-89S81.
-66711.
-43730.
-(G-H2981/T,
GIBBS/not.
39.32!
39.886
41.648
43.369
44.552
45.516
46.341
FREE ENERSY OF
FORMATION,
CIL/HOL
31283.
25883.
13538.
3078.
8.
8.
».
-75'
r
v
1
'TL
-
»f-V 1
TABLE 4 . 0 2 7
THERHOOTNAHIC FUNCTIONS FOR Y I 0 H I 2
(Gl
12.060!
1121.)
2.023005-114
4.
GUI,.
11.308!
(0.110)
( 626.1
I 92.)
f 639.1
(1455.1
(250000.)
INTERNUCLE1R D I S T A N C E . ANGSTROMS
O - M - 0 BONO ANGLE, DEGREES
I1»I2»I3, G"3 • CH*«6
OUAHTUH H E ' C H I DF GROUND STATE OF « 2 H ,
STRETCH FRECUElCY FRON H - F , HAVE COS.
STRETCHING FORCE CONSTANT, * O Y ! I E / A N G S T R O H
O - H - 0 BE NO I KG FORCE COI'STSNT, HflTHE/ANGSTROI
H - 0 AHTISY1HETRIC STRETCH F G E O . ,
HAVE riOS
O - H - 0 BEHDIKG FREQUENCY, HAVE NOS.
H - 0 STHHETRIC S T I T C H FREQUENCY, HAVE HOS.
H - O - H BENDING FREQUENCY, NAVE HOS.
HEAT OF DISSOCIATION AT Z 9 B « TO H ( G l ««o
2 ( 0 H > ( G ) , CAL/HOL
REFEREKCE ?CR FREE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR FREE ENERGY OF FORHATION OF GASEOUS ELEMENT
20
S3
23
23
.FUNCTIONS FOR
Y IDEAL.
HONATOHIC GAS
CP,
GIBBS/FOL
29B.
14.P49
16.S63
20.3S3
22.371
23.51.0
500.
1000.
1500.
2000.
2580.
3000.
21.. 231.
21..666
TABLE 4 . 0 2 8
G1BBS/HOL
-(G-H2981/T,
GIBBS/HOt
75.670
83.556
96.362
105.03b
111.61.5
116.979
121.<t38
75.670
77.356
83.916
89.585
94.306
98.325
101.816
H-H298,
CAL/HOL
FREE ENFRGT OF
FORnATION,
CAL/HOL
-(G-H29SI/T,
GIBBS/HOL
FREE EHERGT OF
FORMATICH,
CAL/HOL
42.870
43.570
45.860
47.560
48.840
49.870
50.760
92090.
85600.
69850.
54640.
39900.
26025.
14139.
-124798.
-121406.
-111698.
-101231.
-90420.
0.
3100.
121.1.7.
2317%.
34678.
46635.
58868.
-78085.
-65397.
THERMODYNAMIC FUNCTIONS FOR Z R I 0 H I 2
IGI
REFERENCE
XKTERNUCLEIR 0 I 5 T A H C F , ANGSTROMS
O - H - 0 BONO ANGLE, DEGREES
I1»I2«I3, G«3 • CH"6
QUAHTUH HEIGHT 3F GROUND STATE OF » ? H ,
STRETCH FREOUEHET FROH H - F , N»Yf NO<t.
STRETCHING FORCE CONSTANT, HOYNE/ANGSTliOH
1.920
(120.I
1.358680-114
5.
628.
I3.15B)
0-H-0
10.1051
BENOIM;
FORCE
CONSTANT,
MDYNE/ANGSTROM
20
7
H-D AHTISYHKETRIC STRETCH F R E O . ,
HAVE HOS
t 611.)
O - M - 0 BENOIKG FREQUENCY, HAVE NOS.
( 110.1
H - 0 SYHHETRIC STRETCH FREQUENCY, NAVE NOS.
( 623.1
H - O - H BENDING FREQUENCY, HAVE NOS.
(1396.1
HEAT OF DISSOCIATION AT 2 9 8 * TO H I G ) AND
(265000.)
2 I 0 H 1 ( G l , CAL/HOL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR FREE ENERGY OF FORHATION OF GASEOUS ELEHENT
. F U N C T I O N S FOR ZR I D E A L .
»ON*TOHIC GAS
CP,
GIBBS/HOL
500.
1000.
1500.
2000.
2500.
14.152
16.800
20.S16
22.461
23.594
24.»70
3000.
24.692
298.
GIBBS/«OL
74.690
82.670
95.627
104.349
110.991
116.325
120.790
-(G-H2991/T,
GIBBS/HOL
74.690
76.394
83.037
88.763
93.522
97.565
101.074
H-H29B,
CAL/HOL
0.
313B.
12591.
23379.
34918.
46899.
59146.
-76-
FREE FNERGY OF
FORHATION,
CAL/HOL
-(G-H29B1/T,
Gians/HOL
-93300.
-B9999.
-80559.
-70070.
-79236.
-47343.
-34991.
43.315
44.054
46.617
48.555
40.077
51.345
52.439
FREE EHERGT OF
FORHATICN,
CAL/HOL
138163.
131284.
114353.
93077.
82042.
66981.
52275.
TABLE I . . 0 Z 3
THERHOOTKAHIC FUNCTIONS FOR HB<0H>2
CSI
REFEREHCE
I H T E R H X L E t R D I S T A N C E , ANGSTROMS
11.830)
O-H-O BONO AHGLE, DECREES
1120.)
I 1 » I 2 » I 3 , G « 3 • CH»»6
1.036781-111,
QUANTUM HETCHT 3 F GROUND ST M E OF » J H ,
6.
STRETCH F R E O U E K T FROM H - F , H U E KOS.
I 711.)
STRETCHING FORCE CONSTANT, KOYHE/ANGSTROM
H..06M
O - H - 0 BEHSIAG F 3 V E CONSTANT, HOYKE/ANSSTROM
ID.1351
M-0 ANTISYMMETRIC STRETCH F 9 E 0 . ,
HAVE HOS
( 692-1
O - H - 0 BENDIIffi FREQUENCY, HAVE NOS.
I 1Z5.I
H-D SYMMETRIC STRETCH FREQUENCY, HAVE NOS.
I 716.)
H-O-K BENOINe FJSSUENCY, HAVE NOS.
(1539.)
HEAT OF D I S S O C I A T I O N AT 29SK TO H[G> AND
(275100.)
2 ( O H ) t G > , CAL/KOL
REFERENCE f C R R E E EHERST FUHCTIOHS FOR GASEOUS ELEMENT
REFERENCE FCR R E E E)<ERGT OF FORMATION OF GASEOUS ELEMENT
23
Z3
.FUNCTIONS FOR MS I D E A L .
HONATOMIC CAS
T K
CP,
GIBBS/POL
298.
500.
1000.
1SD0.
zona.
13.6E2
16.198
20.1VT
22.261
23.1.73
21.. 190
26.635
Z500.
3000.
TABLE 6 . 0 3 0
GI3SS/H0L
-(G-H2«)9)/T,
GIBBS/HOL
73.287
80.973
93.572
102.130
109.766
11*. 088
113.561
73.287
7I..929
81. US
St.930
91.598
95.581
99.167
H-H29S,
CAL/HOL
FREE EHERGT OF
FC3HATI0H,
CAL/MOL
-78966.
-7F6B".
-65610.
-S5130.
-16605.
-33*91.
-21771.
a.
3022.
1Z2Z6.
22875.
31.336.
4E26S.
581,81.
THERMODYNAMIC FUNCTIONS FOR H O I O H I Z
-(G-H2961/T,
GIBBS/HOL
66.698
VS.299
6F.111
SO.116
51.511
52.711
53.731
FREE ENERGY OF
FORMATION.
CAL/HOL
161729.
156661.
136221.
118091.
118161.
02659.
65518.
(6)
IHTERHUCLEAR D I S T A N C E . ANGSTROMS
1.B30
O - H - 0 BONO ANGLE, 0E6REES
1120.1
I1»I2»I3, 6 « 3 • CH«6
1.0*6856-111.
QUANTUM HEIGHT OF GROUND STATE OF » 2 H ,
1.
STRETCH FREQUENCY F 8 0 N H - F , HAVE NOS.
I 710.)
STRETCHING FORCE CONSTANT, HOYNE/ANGSTROM
(6.066)
O - H - 0 E N D I N G FORCE CONSTANT, HOYNE/ANGSTRON
10.135)
N - - I N T I S Y H t C T R X C STRETCH F R E O . ,
HAVE NOS
I 691.)
O - H - 0 BENDING FREQUENCY, HAVE NOS.
I 125.1
H - 0 SYMMETRIC STRETCH FREQUENCY, HAVE H O S .
I 703.)
H - C - H BENDING FREQUENCY, NAVE HOS.
11539.)
HEAT OF D I S S O C I A T I O N AT 298K TO HCG) ANO
1220010.)
Z I O H ) 1 6 ) , CAL/HOL
REFERENCE FOR R E E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR R E E ENERGY OF FORMATION OF GASEOUS ELEMENT
.FUNCTIONS FOR HO I 0 E A L .
BDHATOHIC GAS
C=",
GIBBS/HOL
298.
13.bC9
500. 16.193
1000. 20. 169
1500. 22.261
2010. 23.<73
2511. 2*.198
3101. 26.635
GIBBS/HOL
-(G-H29S)/T,
GIBBS/HOL
70.636
78.325
90.926
39.535
106.121
111.663
115.695
70.636
72.279
78.699
8k.283
88.951
92.935
96.611
H-H29S,
CAL/HOL
0.
3023.
12226.
22878.
36339.
66271.
5(686.
-77-
FREE ENERGY OF
FORMATION,
CAL/HOL
-38331.
-35199.
-21.926.
•16033.
-28*2.
8652.
20320.
-CG-H298»/T,
GIBBS/HOL
FREE ENERGY OF
FOR HA T I OH,
CAL/HOL
63.660
66.123
65.986
67.516
166391.
139162.
6S.S91
69.661
58.695
17167.
71619.
56897.
121279.
113966.
TABLE ti.031
THERMODYNAMIC FUNCTIONS FOR TCC0HI2 IGI
REFERENCE
IMTERNUCLEIR DISTANCE, ANGSTROMS
O-K-0 BONO ANGLE, DEGREES
1 1 * 1 2 * 1 3 , r,«»1 • CH"6
II. Mil
1180.1
1.0209*7-115
QUANTUM HEIGHT S F GROUXO S T » I E OF * 2 H ,
STRETCH FREQUENCY FROM H - F , HAVF N O S .
STRETCHING F O R E CONSTANT, HDYHE/ANGSTROM
O - K - 0 8 E N 0 I N C F 3 R C E CONSTANT, HOYNE/ANGSTRON
H - 0 U N T I S T - I P E T R I C STRETCH F R E O . ,
HAWF NOS
0 - H - O SENOIAG FREQUENCY, H I K E N O S .
H - 0 SYMMETRIC STRETCH FREQUENCY, M 1 » E N O S .
H - O - K BENDTAG FREQUENCY. KAYE D O S .
HEAT OF OXSSCCIATIOH AT 2 9 8 K TO H I G 1 UNO
I 6.1
I 788.1
L*.06T>
IT.135)
C 641.1
C 12*.L
I 712.1
(1539.)
1198008.1
2 1 0 1 1 [ 6 1 . CAL/HOL
REFERENCE FOR R K ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR F*£E ENERGY OF FORMATION OF GASEOUS ELEMENT
25
25
.FUNCTIONS FOR TC IDEAL.
ROMTSNIC GAS
-I6-H29SI/T,
GIS8S/H0L
CP,
GIBBS/POL
13.676
16.197
28.150
22.262
23.*7*
2*.190
2*.635
298.
590.
1000.
1500.
2000.
2500.
3g»o.
TABLE d.032
71.976
79.668
92.270
101.090
107.1.66
112.700
117.2*1
71.976
73.619
00.0*2
05.626
90.295
9k.279
97.7*5
H-H29B,
CAL/MOL
FREE ENERGY OF
FORMATION,
CAL/HOL
I.
302*.
12229.
22001.
3*3*2.
A6273.
90*00.
-IC-H298I/T,
CIBBS/MOL
FREE ENERGY OF
FOIUTICN,
CAL/HOL
*3.250
*3.81S
*5«093
*7.73B
*9.30*
50.615
51.72*
1***98.
137*20.
1202*5.
10319*.
062*2.
69100.
5*299.
-1118*.
-T58T.
268*.
13528.
2*972.
366*8.
*9076.
THERMODYNAMIC FUNCTIONS FOR RUI0HI2 IGI
REFERENCE
IKTERNUCLEAR DISTANCE, ANGSTROMS
<1.930)
O-H-0 BOND ANGLE, DEGREES
1180.1
I 1 * I 2 » I 3 , G « 3 • CH"6
1.021011-115
QUANTUM HEICHT 3F GROUND STATE OF »2H,
I 9.1
STRETCH FRFQUEWr FROM H-F, NAVE NOS.
( 707.1
STRETCHING FORCE CONSTANT. HOVNE/ANGSTROP
l*.8S*>
O-H-0 BENDING FORCE CONSTANT, HgYNE/ANGSTROH 10.1351
M-0 ANTISYMMETRIC STRETCH FRED., HA*F MOS
I 699.1
O-H-0 BENDIAG FREQUENCY, NAeE NOS.
I 12*.l
H-0 SYMMETRIC STRETCH FREOUENCY, HAVE NOS.
C 700.1
M-a-H BEMOTMG FREQUENCY, HAVE HOS.
11539.1
HEAT OF OISSOCMTIOP AT 290K TO HIE] AND
1176900.1
2I0HI [ G l , CAL/MOL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR FREE ENERGY CF FORMATION OF GASEOUS ELEMENT
23
23
.FUNCTIONS FOR RU I0EAL.
ROHATOHIC EAS
CP,
GISBS/HOL
298.
500.
1000.
1508.
2000.
2500.
3000.
13.698
16.'tO
20.151
2 2 . '63
23.*7*
2*.190
2*.635
GIBSS/HOL
-CG-H29B«/T.
6IBBS/H0L
H-H290,
CAL/MOL
72.0*2
»0.r36
93.1*0
101.750
103.336
113.650
111.111
72.0*2
7*.*86
08.910
B6.*95
91.16*
95.1*8
90.61*
0.
3025.
12230.
22SB3.
3*3*5.
*6276.
58*90.
78-
FREE ENERGY OF
FORMATION,
CAL/HOL
2205.
538*.
1**30.
2*106.
3*10*.
***$*.
559*7.
-C6-H29BIST,
GI3SS/K0L
FREE ENERGY OF
FORMATION,
CAL/MOL
4*.550
*5.160
*7.*00
*9.230
50.698
51.099
52.930
1*3758.
136160.
117**8.
98837.
80**8.
62372.
*526«.
TABLE k.333
TK€RHODTNIHIC FUKCTIORS FOR RHI0H)2 IG)
IHTERHUCLEAS DISTANCE, AKGSTRONS
(1.631)
O-M-0 BOND INGLE. DEGREES
(ISO.I
1 1 * 1 2 * 1 3 , G*»3 • CH**6
1.121067-115
QUANTUM MEierr I F GROUIO STATE OF *zn,
is.
STRETCH FREQUENCY FROH H-F, HAVE H05.
( 796.1
STRETCHING FORCE CONSTANT, HDTHE/IMGSTROH
(6.06k)
O-K-0 8EH0IKG F33CE CONSTANT, HOYNE/AHSSTROH
(6.1351
R-0 AHTISTHfETRIC STRETCH FSEO., HIVE HOS
I 655.1
O-lt-0 BEND!BE REQUEHCY. HIVE HOS.
( 12%.)
K-0 SYIWETHC ST1ETCH FREQUENCY, «ME BOS.
I 699.1
H-O-H BENDING REOUENCT, H*¥£ HDS.
11539.1
HEAT OF DISSOCIATION «T Z95K TO H CGI AND
(16511).)
2I0HI ( G l , C»L/HOL
REFERENCE FOR REE EMSRGT FUNCTIONS FCH GASEOUS ELEHENT
REFERENCE FCR R £ E ENERGY OF FORMATION OF GASEOUS ELEMENT
S3
23
.FUNCTIONS FOR KM I D E M . .
NOHITOHIC G»S
-(G-H2981/T,
GienS/'IOL
GTaBSSIUU.
13.60k
16.203
20.152
22.263
23.--7*
2k.151
2k.b!5
Z9B.
500.
1009.
1500.
2000.
2500.
3000.
TABLE k.03k
73.10%
50.990
93.605
102.-15
100.602
113.923
115.976
73.10k
7k.7k9
91.173
•6.759
91.62S
95.612
90.679
H-H298,
CAL/NOL
FREE ENERGY OF
FOOIUTION,
C1L/HOL
0.
3026.
12232.
22SS5.
31.31.4.
k6270.
50k9i.
-CG-H298IT,
GT.9BS/1R1L
6k.3B7
kk.966
67.117
69.916
S0.106
S1.S67
52.617
-»561.
-527k.
k222.
16076.
26397.
37263.
69976.
FREE ENERGY OF
FORMATION.,
CAL/ROL
122116.
116736.
96776.
791TT.
61676.
6H6I.
into.
THERMOOTNAHIC FUNCTIONS FOR POIOHI2 (G)
REFERENCE
IHTERWCIEAE OBTAHCE, ANGSTROMS
11.6361
O-H-0 BONO ANGLE, DEGREES
(180.1
1 1 * 1 2 * 1 3 , G**3 * CH»*6
1.021166-115
QUANTUM HEIGHT OF GROUND STATE OF *ZH,
9.
STRETCH FRECUEICT FROH H-F, NAVE HOS.
I 706.1
STRETCHING FORCE CONSTANT, NOYNE/ANGSTROH
16.6661
O-N-0 BENDING FMCE CONSTANT, MDYNE/ANGSTROH
(0.1351
N-0 ANTISYNHETRIC STRETCH FSEO., H6VF NOS
C 607.)
a-H-0 BENDING FREQUENCY, HAVE NOS.
I 12k.)
H-0 SYHHETRIC STRETCH FREOUEKCT, HIVE NOS.
I 697.1
n-O-H BENDING FREQUENCY, HOVE NOS.
11539.1
HEAT OF DISSOCIATION AT 296K TO H(G) AND
1120000.1
2«OH) CGI, CAL/ROL
REFERENCE FOR REE ENERGY FUNCTIONS FOR GASEOUS ELEKENT
REFERENCE FOR FREE ENERGY OF FORHATION OF GASEOUS ELEMENT
23
23
.FUNCTIONS FOR FO IDEAL.
HONATOinC GAS
CF,
GIBBS/M5L
298.
500.
1006.
1500.
2000.
2500.
3000.
13.690
1G.ZC7
20.153
22.26%
23.675
26.191
2k.616
-(G-H298I/T,
GIBBS/POL
72.993
80.692
93.299
101.918
166.696
113.616
119.271
72.993
7k.6*5
81.065
06.651
41.321
95.3(6
98.772
H-H296,
CAL/NOL
FREE ENERGY OF
FORMATION,
CALSROL
3027.
12236.
22868.
36358.
66281.
58696.
•79-
-11665.
-0287.
2123.
1319S.
25030.
37838.
50903.
-IG-H2991/T,
GIBBS/IKK
39.908
60.676
62.668
63.996
65.3(6
6S.516
67.668
FREE ENERGY OF
FORMATION,
CAL/HOL
75131.
65996.
56261.
61(21.
2666*.
13611.
611.
TABLE "..035
THERMODYNAMIC FUNCTIONS FOR AG(0HI2 IGI
INTERHUCLEAR DISTANCE, ANGSTROMS
11.1311
O-H-0 BOND MGLEi OEGREES
1180.1
I l ' I Z ' H , G « 3 • CH"6
1.021109-115
QUMTUH HEIGHT OF GROUND STME OF * J H ,
6.
STRETCH FREOUENCY Fl*OH H-F, HAYE NOS.
I 71*. I
STRETCHING FORCE CONSTANT, HOTHE/ANGSTROH
(6.1661
O-H-0 BENDING FORCE CONSTANT, HDVNE/AHGSTROH (1.13S)
H-0 MTISYHFETRtC STRETCH FSEO.t N1VE HCS
I 696.1
OHM) SENDING FREQUENCY, MAKE HOS.
( 12"..I
H-0 SYMMETRIC STCETCH FREQUENCT, HAVE N05.
I 696.1
H-O-K BENDING FREOUENCT, HAVE NOS.
(1539.1
HEAT OF DISSOCIATION AT 298K TO H(G) AND
(ltlill.l
ZIOHI CGl CAL/HOL
REFERENCE FOR F*EE ENERGY FUNCTIONS FOR GASEOUS ELEHEKT
REFERENCE FOR F*£E ENERGY OF FORNATIOH OF GASEOUS ELEMENT
f
26
23
• FUNCTIONS FOR AG IDEAL.
HONATOHIC GAS
-(G-H2981/T,
GIBBS/MOL
CP,
GIB8S/HDL
13.693
16.219
21.156
22.26*
29B.
511.
tlli.
1511.
Zlll.
ZSII.
Illl.
a.vn
26.191
26.636
TABLE 6.036
72.226
79.926
92.536
111.1*6
117.733
113.155
117.soe
72.228
73.873
11.311
85.887
91.557
96.562
91.119
H-H298,
CAL/MOL
FREE ENERGY OF
FCINATION,
CAL/MOl
-(C-H298I/T,
GIBBS/MOL
-7517.
•3696.
7715.
21226.
33597.
6B66T.
76576.
61.311
61.8*3
63.867
65.367
66.551
67.511
68.318
I.
3127.
12235.
22889.
36351.
66212.
58697.
FREE ENERGY OF
FORMATION,
CAL/ML
51821.
52611.
S765I.
23161.
11816.
I.
I.
THERMODYNAMIC FUNCTIONS FO* C0IOHI2 (Gl
REFERENCE
IHTERHUCLEAR 3T5TANCE, ANGSTROMS
1.471
188.
O-B-O BONO ANGLEa OEGREES
1.366767-115
I 1 » I Z * I 3 , G»M » CH»»6
OUANTUH HEIGHT OF GROUHO STATE OF »ZH,
1.
STRETCH FRECUQCY FROM N-F, HAVE NO*.
I 526.1
3.671
STRETCHING FORCE CONSTANT. IRJYNE/ANGSIROM
1.163
O-H-0 8EN0IHG FORGE CONSTANT, NDYNE/ANGSTRO^
572.
H-0 AHTISYfNETRIR STRETCH FREC, NAVE NCS
123.
O-H-0 BENDING FREQUENCY, NAVE MOS.
662.
H-0 SYMMETRIC STUTCH FREQUENCY, HAVE NOS.
H-O-H BEHOIHG FREQUENCY, HAVE "OS.
11512.)
(135889.)
HEAT OF OtSSOCIATIOM AT 296K TO HC» AHO
2 I 0 H ) I G I . CAL/HOL
IS ELEMENT
REFERENCE FCR R E E ENERGY FUNCTIONS FOR GASEOUS
REFERENCE FOR FREE ENERGY OF FORHATION OF GASEOUS
OUS ELEMENT
18
63
28
66
66
66
66
66
26
23
FUNCTIONS FOR CO IDEAL.
R0NA1OHIC GAS
CP,
GIBBS/ROL
296.
511.
1111.
1518.
211*.
2588.
3811.
16.C1B
16.661
21.267
22.322
23.519
26.216
26.652
-IG-H29SI/T,
GIBPS/MOL
69.389
77.162
89.696
98.^39
115.139
118.667
116.923
69.399
71.969
77.516
83.156
67.859
91.865
95.367
M-K296,
CAL/MOL
a.
3086.
12368.
23875.
36559.
66516.
58729.
-80-
FREE ENERGY OF
FORMATION,
CAL/MOL
-IG-H29M/T,
GIBBS/ML
-82363.
-77338.
-62SI6.
-36603.
-9566.
17216.
63889.
6«.865
6V.628
62.541
tfc.lia
65.3a*
66.261
67.878
FREE ENERGY OF
FORMATION,
CAL/HOL
19665.
129S6.
989.
6.
I.
I.
(.
TIBLE k.B37
THERHOOTHMIC FUHCTIOHS FOR INCOH1Z (Gl
REFERENCE
IKTERHUCLEtf> OISTBHCE, 1NGSTR0"S
11.9781
n - n - 0 BOND »«SLE, DEGREES
112).I
I1»IZ<>IS» t « * 3 • C H « 6
1.6B3BS6-llk
OUBKTUH HEIGHT OF GROUND ST*TE OF tilt,
2.
STRETCH FRECUEHCT FROH H-F, UVE HOS.
k6k.
STRETCHING FORCE CONST INT. KOTRF/BNGSTRON
11.7821
O-H-0 BEHOIHG F3*CE CONSTANT, HOYHE/BHGSTRail
{1.(591
H-0 AHnSVIHETRIC STRETCH FREO., HIVE HOS
C kSS.I
O-H-0 BENDING RE3.UEIKT, HIVE HOS.
I
»2.l
H-0 STHHETRIC STRETCH FREQUENCY, HIVE HOS.
I kS9.l
H-O-H BENOING REQUEHCV, HIVE HOS.
11953.1
HE»T OF DISSOCIATION » I Z9BK TO HIGI 1HO
(13911*.I
ZlO-fl CGI, CRL/KOL
REFERENCE FOR REE EHERGT FUHCTIOHS FOR GISEOUS ELEHEHT
REFERENCE FOR R E E EHERGT OF FORHITIOH OF GISEOUS ELEHEKT
2B
5k
2k
23
.FUHCTIOMS FOR IH IDEM..
HOUTOHIC CIS
-IG-HZ9BJ/T,
GIBBS/HOL
CF,
GIBB3/H0L
MB.
SOI.
1688.
1SBB.
2888.
Z5BB.
3888.
15.512
lB.ZBk
Zl.ZkS
22.B3B
23.BIB
2k.U7
24.755
TBBLE k.BIB
75.73B
Bk.k55
9B.Z2B
1B7.169
113.BBS
119.269
123.757
75.73B
77.683
Sit .TIB
9B.B<iZ
95.743
99.971
1B3.57Z
H-H29S,
CIL/HOL
FREE EHERGT OF
FORH1TIOH.
CIL/HOL
B.
3«m.
13k3B.
2kk9B.
36175.
kBZk5.
6B555.
-IG-H29BJ/T,
GIB«S/HOL
FREE ENERGY OF
FOftMTXOR,
ClUNOl
kl.5B7
kZ.BTT
kk.198
k5.972
k7.kl3
kB.SBB
k«.5Et
k97k«.
kk3S6.
32158.
ZB68B.
8138.
B.
B.
-97572.
-9Jk96.
-S19k2.
-7B159.
-5BSZ7.
-12252.
-1B397.
THERHOOTHWIC FUNCTIOHS FOR SHI0H12 (G)
REFEREHCE
INTERMCLEIK DISTANCE, INGSTROKS
O-HO BONO 6HGLE, DEGREES
u*n*iit e**s • CH»»6
2.8k8
92.
2.516kl5-llk
1.
C *S9.I
11.7531
(8.B51I
6tB.
Z81.
56k.
(1B62.>
C1BSBBB.1
QUIHTUN HEIGHT OF GROUND STBTE OF «2H,
STRETCH FREOUEHCT FROH H-F, HIVE DOS.
STRETCHING FORCE COHSTIHT, HDVNE/MCSTROH
O-H-0 BEHOING FORCE CONST«HT, H0YNE/1R6STR0H
H-0 IHHSTHPtTRIC STRETCH FRED.., NMF HOS
O-H-0 SENDING FREQUENCY, MVE HOS.
H-0 STHHETRXC STRETCH FREQUENCY, HIVE " 0 3 .
H-O-H BCHOIHG REQUENCT, UVE HOS.
HEIT OF DISSOCIATION I T 296IC TO HIGI IHO
2I0HI IG1, CIL/HOL
IS EtEHEHT
REFEREHCE TOR R E E EHERGV FUNCTIORS FOR GASEOUS
EtEHEHT
IMS ELEHEHT
REFEREHCE FOR R E E EHERGT OF FORHBTIOH OF GISEOUS
ELEHEHT
IB
63
21
63
63
63
23
23
FUNCTIOHS FOR SH IDEAL.
HOHITOHIC CBS
GIB8S/H0L
298.
588.
1888.
1588.
2888.
2588.
3B8B.
lk.ok9
1 7 . Ski
21.115
22.776
23.783
2k.39k
2k.779
S
GIBBS/HOL
-<G-H298»/T,
CIBBS/HOL
78.735
79.153
92.71k
161.617
18B.328
113.698
11B.1B2
78.735
72.526
79.526
S5.kS7
98.392
9k.533
98.111
H-H29S.
CBL/HOL
6.
3313.
131BB.
Zkl95.
35B56.
k791Z.
68213.
-81-
FREE EHERGT OF
FORHITION,
C1L/H0L
-(G-H29BI/T,
GIBBS/HM.
FREE EHERGT OF
FORMTION,
CIL/HOL
-87321.
-B2631.
-6B36B.
-53768.
•3B911.
•2k)2B.
-671k.
kS.ZkB
kB.358
k3.286
kS.kSB
k7.13B
kB.55B
k?.66B
63BBB.
58328.
k6378.
3*226.
27.886.
97 8 5 .
6.
TABLE 4.«S»
THERHODtNMJC FUNCTIONS FOR SBIOHlJ IEI
REFERENCE
IHTERNUCLE** 01ST1MCE. 4RGSTR0MS
(1.9*8)
O-H-0 BOND ANGLE. DEGREES
(12».»
I l » I 2 « t 3 t C»*J * C H " 6
t.JaSHH-Ul,
QUANTUM MEXCHT 3F GROUND STATE OF »2H.
2.
STRETCH FRECUEMST FROH H-F, HIVE HOS.
( 599.1
STRETCHING FORCE CONSTANT, WnmE/AHGSTROR
(2.991)
O-H-O BENOTkC F 3 « E COKSTART, HOTRE/AHGSTROH
(».lll)
H-O AttTlSTIMETRXC STRETCH FREO.» MITE ROS
I 555.>
O-H-0 BEROtRC FREQUENCY, HAVE NOS.
f 115.1
M-0 STlmETftZC ST1ETCH FfUMU5HCY, U V E HDS.
( 542.1
R-O-H BEHOIAG RSOUEXCr, HAVE HOS.
(1342.1
HEAT OF OISSOCHTIC* AT 2 9 « * TO N(GI WO
(169151.1
2C0'«I (GJ, C A l / W l
REFERENCE FCR F?£E ENEBGT FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR R E E ENERGY OF FORMATION OF GASEOUS ELEHEHT
2%
24
.FUNCTIONS FOR S 9 IDEAL.
HOHATONtC GAS
Cl»,
GIBBS/HOL
14.335
17. * U
21.62k
22.SM
23.02*
2k.243
26.7*7
295.
5»».
1MI.
15(1.
2111.
Z5*C.
3t«l.
TABLE 4 . * 4 «
etsas/RoL
73.921
*2.«*3
95.171
1*3.826
11*.471
115.521
121.259
-(C-H296I/T,
6IBSS/"OL
73.921
75.6*7
82.363
08.IIS
92.922
96.95*
lio.sM
H-H29*,
CAL/ROL
FREE ENERGY OF
FOAHATIOH,
CM./KOI
i.
3171.
127*5.
23536.
39*97.
47191.
S9349.
-(G-H298IST,
GIBBS/HOL
FREE ERERCT OF
FORMTIOM.
CAl/HCL
43.«6*
43.63*
65.59*
47.11*
48.35*
49.2*1
5*.12»
53117.
46691.
11777.
19551.
51(1.
123*.
-i7M.
-7B193.
-7462S.
•63*1*.
-49*21-35*23.
•168*2.
trw.
THERHOOVHARIC FUNCTIONS FOR TEI0MI2 |GI
REFERENCE
IHTCRHUCLEIF OXSTAHCE, ARGSTRORS
(1.93*1
O-H-0 BONO ANGLE. DEGREES
(128.)
I 1 » I 2 » I J . 6»»J • CH»»6
1.S357SS-U4
OUAHTUH HEIGHT OF GROUND STATE OF »2H,
1.
STRETCH FRECUENST FROH H-F, HAVE M S .
( 562.1
STRETCHIH6 FORCE CONSTMTt ROTHF/AHGSTROR
12.6451
O-H-0 BENDING F3RCE CONSTANT, HOTRC/AIAgSTROR
(•.«•()
R-0 (HTISYHHETAIC STRETCH FREO., NAVF NOS
( 949.1
0-R-O BENOIRS FR£QOEHCT, HAVE HOJ.
( 99.1
H-0 STHHET3IC STRETCH FREQUENCY, HAVE NOS.
I 555.1
H-D-H BEROIMG FJEOUERC*, HAVE H05.
(IZ'2.1
HEAT OF DISSOCIATION AT 29BK TO HIG1 MO
(l4*fl*.l
2(0H1 ( £ 1 , ML*HOI
REFERENCE FOR F*£E EHERGT FUNCTIONS FOR GASEOUS ELENENT
REFERENCE reft FREE ENERGY OF FORMATION OF CASEOUS EURERT
24
24
•FUNCTIONS FOR TE I D E A L . . .
D0R4T0RIC GAS
f
-5 »
GIBBS/NX
29*.
5»».
li««.
1S*».
2*t*.
25**.
3**1.
14.6*5
17.3W
2*.787
22.6*3
23.679
24.326
24.731
GIBBT/ROL
•CC-R2991/T.
GIBBS/ROC
73.19*
•1.41*
94.655
1*3.459
11*.122
115.4*2
119.955
72.1(0
74.94*
81.769
87.61*
92.439
96.524
1*(.(71
s
H-H298.
CAL/RW.
».
3239.
12886.
23773.
35367.
473*2.
596S3.
-82-
FREE ERFRGT OF
FORRtTIOHi
CH./HOL
-(G-H2981/T,
6HRS/H0L
FREE ENERGY OF
FORMTJOR.
CAL/HOL
-68386.
-64772.
-51642.
-34153.
-141*6.
-6945*.
25151.
43.64*
46.21*
66.1**
47.71*
48.93*
19.94*
S».»l*
37*31.
3*7*6.
17439.
«631>
2299.
-4213.
-1*1*6.
TABLE h . d t l
THERMODYNAMIC FUNCTIONS FOR BAC0H>2 161
REFERENCE
IKTERNUCLEAf OISTABCE, ANGSTROMS
z.6t6
O-M-0 BONO ANGLE, OEGREES
in.
I 1 » I 2 * I 3 , S—3 • CH'»6
6.751155-Hli
QUAHtUH NEIGHT OF GROUNO STATE OF »?H,
1 1.1
STRETCH FREQUENCY FROH N-F, NAYE BOS.
f 29S.I
STRETCHING FORCE CONSTANT, MOTNF/ANGSTRON
It.753)
O-K-0 SENDING FORCE CONSTANT, HOYNF/ANGSTRQH (1.825)
H-0 ANTISYMMETRIC STRETCH F'EO., HIVE NOS
III.
O-H-0 BENDING FREQUENCY, HI YE NOS.
61..
H-0 SYMMETRIC STRETCH FREQUENCY, HUE HOS.
613.
If-O-H BENDING FREQUENCY, KAYE NOS.
C 751.1
HEAT OF DISSOCIATION AT 298K TO HIG1 ANO
21311A.
2<0HI c o , CAL/HOL
REFERENCE FCR FREE ENERGY FUNCTIONS FOR GASEOUS
ElENENT
S ELEMENT
REFERENCE FCR FREE ENERGY OF FORMATION OF
[OUS ELEMENT
5
6)
66
66
66
36
7
7
FUNCTIONS FOR M IDEAL.
HOMTONIC CAS
CP,
GIBBS/HOL
Z9B. 17.-30
5 1 0 . 19.582
1B0Q. 21.755
1 5 ) 0 . Z3.186
2 M 8 . 23.161
2580. 26.589
3080. £6.060
TABLE « . I U
-CG-H29M/T.
GIBBS/HOI
75.065
S7.S65
131.919
111.B07
117.7TB
123.169
127.691
7«.06S
88.989
B7.767
96.086
99.19B
103.t7T
107.ItS
H-H298,
CAL/MOL
FREE ENERGY OF
FORMATION,
CAL/MOL
a.
373S.
11.152.
25382.
37168.
69288.
61637.
-<G-HZ9B>/T,
5IBBS/M0L
FREE ENEMY OF
FORMATION,
CAL/MOL
68.663
61.226
U.1H
66.711
65.931
J51ZB.
18876.
1B99*.
10126.
1911.
*7.«n
t.
-16612C.
-162671.
-U2B72.
-119771.
-186986.
-87936.
-ttMt.
*.
THERMODYNAMIC FUNCTIONS FOR LAIOHJ2 tGI
REFERENCE
INTERNUCLE1E DISTANCE, ANGSTROMS
12.168)
O-H-0 BONO ANGLE, DEGREES
U2I.I
I 1 * I 2 » I 3 , 6»*3 • CH»»6
2.86S6B8-116
QUANTUM NEIGHT 3F GROUND STATE OF * 2 H ,
It.
STRETCH FREQUENCY FRO" H-F, MAVE W S .
566.
STRETCHING FORCE CONSTANT, HOYNE/ANGSTROH
12.7121
O-M-0 BENDING FORCE CONSTANT, KDTNE/AHGSTROI
(8.898)
H-0 ANTISYMMETRIC STRETCH FREO.. NAVE NOS
C 556.)
O-M-0 BENDING FREQUENCY, NAVE NOS.
C HI.!
H-0 SYMMETRIC STRETCH FREQUENCY, NATE NOS.
C 558.)
H-O-H BENDING FREQUENCY, NA«E NOS.
11351.)
HEAT OF DISSOCIATION AT Z9BK TO NIG! ANO
(27IMI.I
2 I 0 H I f G I , CAL/HOL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR CASEOUS ELEMENT
REFERENCE FOR FREE ENERGY OF FORMATION OF GASEOUS ELEMENT
21
53
21
23
...FUNCTIONS FOR LA IDEAL.
HONATOMC CAS
T K
Z9B.
501.
llll.
1511.
2101.
2511.
3110.
CP,
GIBBS/MIL
S
GIBBS/HOL
-IG-H29I1/T,
Giaes/HOL
16.W*
17.IED
28.636
2Z.S21
23.630
2*.293
26.78B
76.701
8k.93*
97.922
116.640
113.326
111.675
123.1*6
76.701
7B.66I
05.102
90.966
95.759
99.026
103.368
H-HZ98,
CAL/HOL
0.
3197.
1276*.
23571.
35133.
67128.
59386.
-83-
FREE ENERGY OF
FORMATION,
CAL/HOL
-165760.
-16196B.
•13U^6.
•119392.
-106766.
•93858.
•00765.
-IC-H29»)/T,
Giaas/mH.
63.56B
66.211
66.661
68.721
58.391
51.788
52.978
FREE ENERGY OF
FORMlTtOM,
CAL/HOL
91251.
85261.
TH5I.
56611.
63382.
310 2 5 .
16751.
:
TABLE t . l U
THERHOOTRAHIC FUNCTIONS FOR CE(OHI2 (61
REFERENCE
INTERNUCLEAR DISTANCE, ANGSTROMS
O-H-O BONO ANCLE, DECREES
1 1 * 1 2 * 1 3 , 6 * * I • CH**6
QUANTUM NEICHT OF GROUND STATE OF • » •
STRETCH FREOUENSY FRO* H-F, HAYE M S .
STRETCHING FORCE CONSTANT, MIYME/MGSTRON
12.1111
(«e.i
2.629711-116
4.
I 463.1
<i.si7»
O-tHO SENDING FORCE CONSTANT, NOTRE/ANGSTROM ( 1 . 6 6 1 1
H-o ANTISYMMETRIC STRETCH FREO., NAYE HOS
C *SJ.J
o-«-o BENDING FREQUENCY, NAVE I D S .
C H.I
iw> SYMMETRIC STRETCH FREQUENCY, NAVE m s .
c ASY.J
H-O-H BENDING FREOUENCY, NAYE NOS.
(1*93.1
HEAT OF DISSOCIATION AT 29BK TO H(5> MO
(2**818.>
2(0111 ( £ ) , CAL/HOL
REFERENCE F3C R E E ENERGY FUNCTIONS FOR CASEOUS ELEMENT
REFERENCE FOB R E E ENERGY OF FORMATION OF GASEOUS ELEMENT
SB
59
.FUMCnoRS FOR CE IDEAL.
PONATOHIC s i s
CP,
GIBBS/MM.
GIBBS/ROL
-(G-H298IST.
GX685/WL
15.l>15
1A.123
21.171
22.799
23.795
24.412
24.764
79.661
68.337
111.996
111.91*
117i621
121.6*2
127.487
79.661
•1.517
16.667
94.665
99.611
1*3.76*
117.391
24».
Ml.
llll.
156*.
Mil.
2588.
SMI.
TABLE 4 . 1 4 4
H-MWa,
CAL/HOL
FREE EMERST OF
FORMATION.
CAL/HOL
I.
361*.
13349.
24374.
36143.
Wit*.
61417.
-<6-H29BI/T,
CXSBS/HOL
FREE ENERGY OF
FORMATION,
ML/ML
65.1*7
46.656
49.436
51.371
53.32*
54.965
56.365
•196*.
63632.
712*8.
SH66.
46*8*.
33*97.
21911.
-122236.
•117611.
-1HH1.
-93UI.
•79*6*.
-M*U.
THERMODYNAMIC FUNCTIONS FOR PR(6M>2 «61
REFERENCE
HTERMJCLEAE OXSTAHCE, ANGSTROMS
12.88*)
O-IW) BOND AM6LS, DEGREES
<!«».)
U ' I 2 * I 3 , C*»J • CH*»6
1.695569-115
QUANTUM HEIGHT OF GROUND STATE OF *2H,
II.
STRETCH FREflUENCr FRON If-Fi RAVE M S .
< 489.1
STRETCHING FORCE CONSTANT, M0TNE/AH6STROH
(2.1241
O-R-0 BENDING FORCE CONSTANT. H0YNE/AN6STR0N
(I.967I
R-0 RNTISTNKTRIC STRETCH FREO., HAVE NOS
( 671.1
O-R-0 SEMI**) FRERUENCT, WYE NOS.
( 86.1
H-0 SYMMETRIC STRETCH FREQUENCY, NAVE NOS.
( 482.1
H-O-M SENDING FREQUENCY, HIVE M S .
(1151.)
HUT OF DISSOCIATION AT 2 9 8 * TO H(6I AND
(236118.1
2(OHI ( C I , CAL/KOL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR GASEOUS ElERENT
REFERENCE FOR FREE ENERGY OF FORMATION OF GASEOUS ELEMENT
61
23
.FUNCTIONS FOR PR IDEAL.
HONATONIC S I S
CP,
GIB8S/H0L
298.
511.
llll.
1511.
2111.
258*.
3111.
15.17*
17.179
21.161
22.743
23.762
26.381
26.769
S
GIBBS/HOL
-(G-H29W/T,
GIBBS/HOI
76.773
•5.316
98.858
117.736
114.43I
119.885
126.287
76.773
78.599
65.639
91.615
96.518
111.641
116.225
H-H29*,
CAL/HOL
I.
3358.
13212.
24197.
35844.
47692.
68186.
-84-
FREE ENERGY OF
FORMATION.
CAL/HOL
-128761.
-123545.
-114964.
-98263.
-8*276.
-78275.
•56286.
-(C-H29SI/T,
GIBBS/ML
FREE ENERGY OF
FORMATION,
CAL/HOL
45.339
45.936
- 48.197
51.192
51.612
52.859
53.986
73721.
68911.
56971.
42341.
38915.
11971.
7131.
TABLE I..8S5
THERMODYNAMIC FUNCTIONS FOR HSIOHI2 IG1
REFERENCE
MTERMJCIEAF DISTANCE, ANGSTROMS
12.0501
O-H-0 BONO ANGU, OEGREES
115*.>
I 1 » I 2 » I S , 0 " 3 * CM"6
I.fill1it-U«
QUAKTUH HEICHT OF GROUND STATE OF »2H,
4.
STRETCH FRECUEICY FROM H-F, HAVF HOS.
I 516.)
STRETCHTHG FORK CONSTANT, ffQYHE/ANGSTROH ( 2 . 2 6 3 )
O-lf-O BENDING F D « E CONSTANT, MDYNE/ANGSTR01
(0.(75)
H-0 ANTISYMMETRIC STRETCH F8EQ., HUE NOS
C S8S.)
O-H-0 BENOING FREQUENCY, HIVE NOS.
C 91.1
H-0 SYHHETRIC ST4ETCH FREOUENCYt HAVE NOS.
I 519.1
H-O-H BEHDIKG F3E0.UENCY, ilAlE NOS.
C12I9.)
HEAT OF DISSOCIATION AT 298K TO HCGI AND
(23B1M.I
2I0H1 IG1> CAL/HOL
REFERENCE FOR R 5 E ENERGY FUNCTIONS FOR GASEOUS ELEHENT
REFERENCE FOR F?.£E ENERGY OF FORMATION OF GASEOUS ELEHENT
21
23
23
.FUNCTIONS FOR NO IDEAL.
HOHATOIMC GAS
CP,
GIBBS/HOL
S
GIBBS/ML
-CG-Hjq»l/T,
Gt«BS/HOL
It.924
17.619
20.926
22.679
23.72k
76.16k
B4.59(
97.989
106.337
113.518
118.«65
123.361.
76.181.
77.901
81.-925
90.83V
95.711.
99.921
103.302
298.
510.
ieio.
ISO*.
2*(*.
25(0.
3100.
2*.ist
21.. 752
TABLE 4 . ( 4 6
H-H290,
CAL/MOL
FREE ENERGY OF
FORMATION,
ClUHO.
1.
3305.
1306%.
21.005.
35628.
47668.
S 991.5.
-(G-H29t)/T,
GIBSS/1ML
FREE ENERGY OF
FORMATION,
CAL/HOL
«5.2H
45.67*
48.2*1
51.21*
51.77*
53.(4*
51..100
60B7*.
•322*.
*»7(*.
17*0*.
2630*.
16*11.
6170.
-127465.
•122MB.
-1111.77.
•96378.
•00876.
-6*726.
-41)36.
THERMODYNAMIC FUNCTIONS FOR PNI0H12 IG>
REFERENCE
XNTERNUCLE1R DISTANCE, ANGSTROMS
(Z.OZOI
O-H-0 BOND ANGLE. OEFREES
(180.1
I1»I2-I3, 6 » 3 • CH««
1.51*267-115
OUANTUH HEIGHT OF CROUHO STATE OF * 2 N ,
6.
STRETCH FREQUENCY FROM H-F, HAVE NOS.
I 5*6.1
STRETCHING FORCE CONSTANT, KBYNE/MGSTROH
12.5*21
O-N-0 BENDING FOWE CONSTANT, HOYNE/AHGSTROH 1 0 . 0 0 5 )
H-0 ANTISYMMETRIC STRETCH FRED.., HA«E HOS
< 53S.I
O-H-0 BENDING REOUENCY, HAVE NOS.
(
96.1
H-0 SYMMETRIC STRETCH FREOUENCY, HAVE NOS.
I 539.1
H-O-H BENDING FREQUENCY, HAVE NOS.
(1273.1
HEAT OF DISSOCIATION AT 298K TO H ( » AND
1221000.>
2I0HI ( G l , CAL/HOL
REFERENCE FCR REE ENERGY FUNCTIONS FOR GASEOUS ELEHENT
REFERENCE FOR F?(S ENERGY OF FORMATION OF GASEOUS ELEHENT
21
6*
EST
.FUNCTIONS FOR PR IDEAL.
HOHAWNIC GAS
CP,
T K GIBBS/KM.
298.
50*.
1*00.
15*1.
2000.
258*.
3(8*.
14.574
17.3*1
28.796
22.617
23.681
2*.327
2*.732
S
GIBSS/HOL
-IG-H298I/T,
GIBBS/MOL
H-H29S,
CAL/HOL
FORKATIC
CAL/HQt
-CG-H29B1/T,
GIBBS/HOL
7*.983
83.2*7
96.*97
1(5*3*3
111.967
117.327
121.F81
T*.983
76.7*9
83.592
S9.**8
9*.272
98.365
161.9*9
32*9.
129*5.
23795.
35398.
474(6.
59678.
*.
-1*13*8.
•13*6(9.
-1177*2.
•1(0697.
-83099.
-66580.
-40*26.
(**.679>
1*5.3661
(47.431)
150.026)
(51.6991
(53.(7(1
(54.22(1
-85-
FREE ENERGY OF
FORMATION,
CAL/HOL
(
(
(
(
(
1
i
45796.1
42196.1
12*11.1
2Z2M.1
12*36.1
1*22.)
(.1
TABLE 4 . 0 4 7
THERHODYHAMIC FUNCTIONS FOR SH(0HI2 IGI
REFERENCE
IHTERNXLEJR DISTANCE, UiGSTROHS
U.99S)
O-n-0 BONO AHGLE, DECREES
I199.1
X 1 * I 2 * I 3 , e » 3 • CH»«6
1.423543-115
SU1HTUH HEIGHT I F GROUND STATE OF «ZH.
1.
STRETCH FREWEJCr FROM H-F, HUE NOS.
I 511.)
STRETCHING FORCE CONSTANT, BOYME/AHSSTROH
(2.169)
O-lt-0 BENDING F57CE CONSTANT, HOYFE/ANGSTROM
(1.196)
H-0 MTISTHierRie STRETCH FRE3., HIKE NOS
I 563.1
O-H-0 BENDING FtSOUEHCT, HAVE BOS.
C 182.1
H-0 SYMMETRIC STIETCH FREQUENCY, M f E HDS.
« 571.1
H-O-H BENDING F?SQUEHCT, HIKE NOS.
113*3.1
HEAT OF DISSOCIATION AT Z95K TO NIG) U O
IZZMIS.I
2I0HI <G>, CAL/ROL
REFERENCE FOR FIEE ENERGY FUNCTIONS FOP. GASEOUS ELEMENT
REFERENCE FOR R E E ENERGY OF FORMATION OF GASEOUS ELEHENT
2*
23
.FUNCTIONS FOR SH IDEAL.
HOHATOKIC G1S
Gtaas/roL
GIB3S/M0L
-IG-H2«B>/T,
GIBBS ("tOL
14.421
17.147
21.638
2Z.5Z4
23.632
24.295
24.719
71.136
79.152
92.241
111.996
117.644
112.995
117.464
71.136
72.771
79.SC6
15.217
91.179
44.145
97.669
CP,
MB.
5)1.
1011.
1S11.
2111.
4519.
Jill.
TABLE 4 . 1 4 )
H-H291,
C1L/ROL
FREE ENERGY OF
FORMATION,
• (G-H29D/T,
GtaaS/MOL
ui/mn
43.722
44.545
47.439
49.676
51.379
52=721
53.121
-151936.
-146364.
-131611.
-112991.
-93S41.
-65335.
•35911.
G.
3191.
12734.
23S67.
35131.
47125.
59314.
FREE ENERGY OF
FORMATION,
uuini
41317.
35162.
22941.
11351.
1141.
I.
1.
THERMODYNAMIC FUNCTIONS FOR EUC0HI2 CGI
INTERNUCLEU DISTANCE, AHGSTROH5
ll.96l>
O-H-0 BONO ANGU, OEGR.-ES
(l«l.)
I l » I 2 » I 3 , G»»S • CR»*6
1.340575-115
OUANTUH HEIGHT OF GROUND STATE OF *2N,
1.
STRETCH FREQUENCY FROM H-F, HAVE M S .
I 617.)
STRETCHING FORCE CONSTANT, 9DYNE/ANGSTR0M
13.254)
O-N-O BENDING FORCE CONSTANT. ROYKE/1NGSTRON
(1.111)
H-0 ANTISY^rETRIi; STRETCH FRED., HAVE HOS
( 6*4.)
O-H-O K N O W FREQUENCY, HA«E NOS.
( 101.1
M SYMMETRIC STRETCH FREQUENCY, HAYE NOS.
f 611.1
H-O-H BENOtNG FREQUENCY, MATE NOS.
(1421.)
HEAT OF DISSOCIATION AT 291K TO N(6> AND
(224111.)
2(OH) I E ) , CAL/NOL
REFEREJKfc FOR R E E ENERGY FUNCTIONS FOR GASEOUS CLEMENT
REFERENCE FOR FREE ENERGY OF FORMATION OF GAScOOS ELEMENT
24
23
• FUNCTIONS FOR EU IDEAL.
PONATOHIC GAS
T K
CP,
GIB8S/M0L
2 9 1 . 14.-* ES
511. 1 E . 7 S
till. 2 1 . 4 5 9
1511. 2 2 . 4 2 9
Zlll. 2 3 . 5 7 5
Z5I1. 2 4 . 2 5 7
3111. 24.682
S
GIB9S/N0L
-IG-K2981/T,
GTB9S/M0L
74.743
12.7|I
95.617
104.321
111.965
116.215
121.749
76.743
76.445
83.167
18.777
93.524
97.561
111.163
H-H291,
CAL/NOL
FREE ENERGY OF
FORMATION,
CAL/HOL
1.
3131.
12551.
23317.
34843.
46115.
59157.
-86-
-161736.
-155«16.
-141S19.
-124339.
-114776.
-78422.
•5215*.
-CG-H29M/T,
GIB3S/H0L
FREE ENERGY OF
FORMATION,
CAL/HSL
65.197
45.661
47.622
49.142
51.331
51.311
52.131
34212.
29111.
17121.
6947.
I.
I.
1.
TABLE 4 . 0 4 9
THERKOOYHAMIC FUNCTIONS FOR S0C0H>2 I C )
INTERHUCLE3R D I S T A N C E . ANGSTROMS
(2.1001
O - H - 0 BONO ANGLE, DEGREES
(120.)
I 1 * I 2 » I 3 , G « 3 » CH»«6
2.623566-111.
QUIHTUH HEIGHT OF GRdUIlO STATE OF » 2 H ,
5.
STRETCH FRECUEICY FROM H - F , H I V E NOS.
C 469.1
STRETCHINS FORCS CONSTANT, TOYHE/AMGSTSOH
CI.883)
O - H - 0 B E H O I I S F O W E CONSTANT, KOYNE/ANSSTROH
ig.«63)
H - 0 A N T I S Y W E T R I C STRETCH F « E O . ,
HAVE SOS
1 459.)
O - H - 0 BEKOtKS R S O U E H C Y , «»«E HOS.
I
32.1
H - 0 SYMMETRIC STRETCH FREOUEHCY, M » E H O S .
f 46Z.)
H-O-H BENDING R J Q U E H C Y , HAVE H O S .
(1115.)
HE«T OF D I S S O C I A T I O N « T 2 9 8 1 TO " ( 6 1 AND
(236800.)
2 I 0 H I I G I . CAL/PQL
REFERENCE FCR F I S E ENERGY FUNCTIONS FCff GASEOUS
ELEMENT
IS ELEMENT
REFERENCE FOR F3£E ENERGY OF FORMATION OF
'OUS ELEMENT
21
Z4
61
•WHATBMC GAS
i
T K
c».
S
GI3SS/H0L
-(G-H29M/T,
GIBPS/»OL
15.347
IS.,50
78.709
87.346
100.967
109.075
116.579
121.SS7
126.441
78.709
SO.556
S7.659
93.661
98. 5W
102.741
106.320
GIBBS/HDL
290.
500.
ilea, zi « 7
1500.
2010.
2500.
3000.
22./-02
23.705
2".. 195
24.780
TABLE 4 . 0 5 3
H-H298,
CAL/KOL
1.
3395.
13306.
2*320.
35983.
48046.
60.341.
FREE ENERGY OF
FORMATION,
L'll/KOL
-CG-H29B)/T,
GISBS/HOL
FREE ENERGY OF
FORMATION,
CAl/HOL
46.421
1.7.161
•.9.690
51.576
53.611
56.191
55.211
61952.
7S794.
63199.
S1016.
31119.
HIM.
11X16.
-12079k.
-11F017.
-1(3562.
-90965.
-711.33.
-65937.
-53370.
THERMODYNAMIC FUHCTIOHS FOR TBCOH12 ( E l
IKTERHUCIEIR D I S T A N C E , ANGSTROMS
12.670)
O - N - 0 BONO M G L E i DEGREES
(100.)
X 1 » I 2 » I 3 , G » 3 • CH»»6
1.66*013-115
QUANTUM HEIGHT 3 F GROUND STATE OF » 2 H ,
16.
STRETCH FRECUEHSY F R O * H - F , H I V E D O S .
C 495.1
STRETCHINS FORCE CONSTANT. NOYNFSANGSTROH
(2.1111
O - H - 0 BENOING FORCE CONSTANT, HDYNESANGSTROH
(8.070)
H - 0 ANTISYMMETRIC STREYCH F O E O . ,
HAVE NOS
( 485.)
O - H - 0 BENDING FREQUENCY, H I V E N O S .
( 67.)
H - 0 SYHHETRIC STRETCH FREQUENCY, W Y E HOS.
( 407.)
H - O - H BENDING FREQUENCY, HAVE N O S .
(1176.)
HEAT OF D I S S O C I A T I O N AT 2 9 0 K TO H ( G ) AND
(Z3I>ID1.>
2 (OH) ( S ) . C A L / H O l
REFERENCE FOR R E E ENERGY FUHCTIOHS FOR GASEOUS ELEMENT
REFERENCE FOR R S E ENERGY OF FORMATION OF GASEOUS ELEMENT
66
61
.FUNCTIOHS FOR T 8 I D E A L .
HOHATSHIC M S
CP,
GIBBS/HOL
290.
5>B.
1110.
1510.
2110.
251*.
31(0.
15.1(2
17.611
21.(22
22.723
23.750
24.373
24.764
GIBSS/ML
-{G-H29M/T,
GIBBS/HOL
77.920
66.423
99.916
10S.799
115.491
120.853
125.334
77.920
79.730
86.749
97.690
97.591
1(1.724
115.296
H-H29S,
CAl/NOi.
(.
3343.
13167.
24119.
35779.
47622.
60114.
-87-
FREE ENERGT OF
FORMATION,
CAL/HCL
-121175.
-114975.
•1(1540.
-87927.
-742(6.
-59038.
-4S0S5.
-C6-H29SJ/T,
GIBBS/MM.
FREE ENERGT O F
FORMATION,
CAL/ROL
48.552
69.212
51.5(7
53.321•
54.767
55.964
56.914
79690.
744(1.
611(6.
47972.
31.750.
23143.
1(241.
TABLE 4 . 3 5 1
THERMODYNAMIC FUNCTIONS FOR OT<OH1? ( G l
IHTERKUCLE5B DISTANCE, ANGSTROMS
(2.01.0)
O-H-O BONO INGLE, DEGREES
daa.i
I l « I 2 " I 3 , G«»3 • C H « 6
1.570677-115
OUIHTUH HEIGHT 3 F GROUIlO STATE OF • ? » ,
17.
STRETCH FREOUEICT FROM N - F , HAVF WOS.
I 523.1
STRETCHING FORCE CONSTANT • HOYKE/AHGSTROH
(2.3521
O - H - 0 BEHDIHG F3RCE CONSTANT, HDYNE/AKGSTROH
10.0741
H - 0 ANTISY1HETRIC STRETCH F R E O . ,
H A V HOS
<5 1 2 . 1
O - H - 0 BEHOItG FREQUENCY, HAVE HOS.
C 42.1
B - 0 SYHKETf I C STRETCH FREQUENCY, NAVE NOS.
<515.1
H - O - H SENDING FREQUENCY, HAVE HOS.
(1230.1
HEA1 Of D I S S O C I A T I O N AT 29BK TO H ( G 1 AND
1217000.1
2 ( 0 H I ( G l , CAL/HOL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR FREE EMERGT OF FORMATION OF GASEOUS ELEMENT
60
23
. F U N C T I O N S FOR OT I D E A L .
KOHATOHIC GAS
-(G-H29S1/T,
GIBBS/HOI
GI8BS/M0L
298.
500.
1008.
1500.
2000.
2500.
3000.
14.155
17.535
20.S93
22.657
23.711
24.347
24.746
TABLE 4 . 0 5 *
77.656
86.020
99.374
108.210
Ilk.885
120.250
12>>.727
77.656
79.444
86.358
92.249
97.107
101.217
104.773
H-H298,
CAL/HOL
FREE ENERGY OF
FORMATION,
CAL/HOL
0.
3288.
13016.
2391.1.
35556.
47584.
5986k.
-(G-H29S1/T,
GISSS/HOL
FREE EHERGT OF
FORMATION,
CAL/KOL
1.6.791.
47.357
1.9.3211
50.871.
52,119
53.167
5*.076
61090.
55500.
41650.
28280.
17930.
7890.
0.
-122220.
-117656.
-105J76.
-93616.
-7813*.
-63008.
-45450.
THERMODYNAMIC FUNCTIONS FOR H 0 ( 0 H I 2
(Gl
INTERHUCLEAR OISTANCE, AliGSTRO»S
(2.0101
O - H - a BONO ANGL-, DEGREES
(ISO.I
I 1 « M « I 3 , f . « 3 • CH««6
1.0S139I.-115
UUANTUM HEtGNT 3 F GROUND STATE OF » ? H ,
16.
STRETCH FRECUENST FROM M - F . HAVE KOS.
I SS4.I
STRETCHING F O R E CONSTANT, MDYNF/ANGSTROH
(2.61.51
O - H - 0 SENDIIvG FORCE CONSTANT, NDYIIF/ANGSTROM
(0.X891
H - 0 ANTISYMMETRIC STRETCH F R E O . ,
NAVF NOS
I 51.3.1
O - t t - 0 BENDING FREQUENCY, HAVE HOS.
( 97.1
H - 0 SYMMETRIC STIETCH FREQUENCY, HAVE HUS.
( 5*6.1
M - O - H BENDING FREQUENCY, HAVE
ras.
(1295.1
HEAT OF OISSOCIATTON AT 29BK TO M ( G I AND
(219000.1
2IQHI ( G l , CAL/xbL
REFERENCE FOR FREE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR FREE ENERGY OF FORMATION OF GASEOUS ELEMENT
23
23
. c U K C n i H S FOR HO I D E A L .
KUNATC-M1C GAS
CF,
GIBBS/rOL
298.
5S0.
1000.
1580.
2000.
2500.
3000.
14.603
17.252
20.747
22.582
23.666
2*.(17
24.725
-(G-H2911/T,
GIBBS/MOL
77.126
85.11.7
98.5*7
107.339
111.998
119.355
123.827
77.126
7M.843
85.691)
91.522
96.31.2
100.426
103.96A
H-H296.
CAL/HOL
0.
3232.
12854.
23726.
35311.
47321.
59589.
-88-
FRLE EKEBGT OF
FORMATION,
CAl/HOL
-120JS8.
-116316.
-1J39S0.
-90*89.
-7652c.
-61114.
-44655.
-(G-H29SI/T,
GIBBS/MOL
FREE ENERGY OF
FORMA TICM,
CAL/HOL
46.718
47.281
49.244
50.T74
51.984
52.990
53.866
63317.
S7S9S.
43992.
31067.
19580.
92S0.
0.
TABLE 4 . 0 5 3
THERMODYNAMIC FUNCTIONS FOR ERICHI2 (CI
REFERENCE
IKTERHUCLEAR OIST»HCE, ANGSTROMS
O-H-0 BONO INGLE, DEGREES
I1«IZ*I3, C « 3 • CH"6
QUANTUM HEIGHT 3F GROUllO STATE OF *Zn,
STRETCH FREQUENCY FROM H-F, « U E HOS.
STRETCHING FORCE CONSTANT, MOYNE/ANGSTROM
O-H-0 BENDING F 3 U E CONSTAHT, HOVHE/ANGSTRO*
H-0 MTlSTrtETRIC STRETCH FSEQ., NAVE HCS
O-H-0 BEMDtHG FREQUENCY, HIVE NOS.
H-0 SYMMETRIC STRETCH FREQUENCY, HAVE HOS.
H-O-H BENDING FREQUENCY, HIVE HOS.
HEAT OF DISSOCIATION AT Z9SK TO HIG1 AND
ZIOHI
I6>,
(1.9401
(ISO.)
1.395304-115
13.
I 5«.l
12.998)
16.180)
( 577.1
C 103.1
C 540.)
I13BB.1
(219800.)
cAL/noL
23
23
REFERENCE FOR F?EE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR R E E ENERGY OF FORMATION OF GASEOUS ELEMENT
.FUNCTIONS FOR ER IOEAL.
M0N4T0HIC GAS
CP.
GIBBS/HOI.
298.
SIO.
1010.
14.!50
16."52
20.583
Z2.495
23.hit
24.283
24.701
isaa.
2000.
2500.
3000.
TABLE 4 . 8 5 4
-(G-H299)n.
GISBS/HOt
76.300
S4.372
97.404
106.146
112.796
119.133
122.600
76.300
7P.025
84.726
95.264
99.321
102.839
H-H29B,
CAL/HOL
FREE FHERGY OF
F01HATION.
a.
3173.
12678.
23*91.
35843.
47031.
59285.
-(G-H29t)/T,
GIBHS/IWL
CALSHOL
46.347
46.918
49.874
59.4*6
51.624
52.641
53.529
-117844.
-113195.
-1UG4ZS.
-86918.
-72336.
-$6522.
-48566.
FREE ENERGY OF
FORMATION,
CAL/NOL
67195.
61475.
47916.
15136.
2333Z.
IMS!.
2721.
THERMODYNAMIC FUNCTIONS FOR T1UOH12 IC1
REFERENCE
MTERHUCLEAR DISTANCE, ANGSTROMS
11.9581
O-M-O BOND ANGLE, OEGREES
ilS».»
l t » I 2 » I 3 , G " 3 * CH»*6
1.314855-115
QUANTUM HEIGHT OF GROUND STATE OF »ZN,
8.
STRETCH FREQUENCY FROM M-F, HAVE NOS.
I 627.)
STRETCHING FORCE CONSTANT. NOTNE/ANGSTRON
<3.3971
O-M-0 BENDING FORCE CONSTANT, H0YNE/AN6STR0N
(1.111)
M-0 ANTISYMMETRIC STRETCH FBEO., NAVE HOS
I 615.1
O-N-0 BENDING FREQUENCY, NAVE HOS.
< 118.»
B-0 SYMMETRIC STRETCH FREQUENCY, NAVE NOS.
I 618.)
H-O-H BENDING FREQUENCY, HAVE NOS.
(1448.)
HEAT OF DISSOCIATION AT 296K TO HIG) AND
1284000.)
2IOHI ( G ) , CAL/MOL
REFERENCE FOR Ft£E ENERGY FUNCTIONS FOR GASEOUS CLEMENT
REFERENCE FCR FREE ENERGY OF FORMATION OF GASEOUS ELEMENT
23
23
.FUNCTIONS FOR TN IDEAL.
HONATOMIC GAS
-IG-H29S)/T,
GIBBS/<IOL
CP,
GIBBS/MM.
298.
500.
l««t.
150S.
28*1.
2S88.
388 8 .
14.353
16.436
28.197
22.395
23.554
24.243
24.673
74.906
82.825
95.675
184.368
116.977
116.313
120.774
74.986
76.599
93.185
88.871
93.683
97.629
161.125
H-H296,
CAL/HOL
8.
3113.
12698.
23234.
14747.
46718.
58947.
-89-
FREE ENERGY OF
FORMATION,
CAL/MOL
-122671.
-117703.
114158.
-49362.
-74712.
-52778.
-26289.
-IG-H298)/T.
SISBS/ML
FREE ENERGY OF
FORMATION],
CAL/HOL
45.612
45.975
47.937
49.458
58.643
51.627
52.682
47232.
41722.
28598.
16892.
4576.
B.
I.
TABLE 4.055
THERMOOYNirtlC FUNCTIONS FOP TBIOHI2 (Gl
IHTERNUCLE4R DISTANCE, AMG5TRORS
(1.4201
O-H-0 BOND ANGLE, OEGREES
(189.1
I 1 « I 2 » I 3 , G « 3 • CM«6
t.235996-115
QUANTUM HEIGHT 3F GROUMO ST»TE OF »2H,
1.
STRETCH FRECUEICr FROIt H-F, HIVE KOS.
I 570.1
STRETCHING FORCE CONSTANT, KOTNE/ANGST «.0H
(3.8S2I
O-H-0 BENDING FDWE CONSTANT. HCYME/ANGSTROH (0.1291
H-0 AHTISTHKETRIC.STRETCH FREO., H**F KOS
I 657.>
O-H-0 BENDING RECUENCT, WAVE HOS.
I 110.1
K-0 SYMMETRIC STRETCH FREOUEHCT, IIA»F 80S.
( 659.1
H-O-H BENDING FREQUENCY, HIVE HOS.
11536.1
HEAT OF DISSOCIATION AT Z9BK TO N(G1 (HO
(206900.1
2C0HI ( G l , ML/POL
REFERENCE FOR R S ENERGY FUKCTIOKS FOR GASEOUS ELEMENT
REFERENCE FOR R E E ENERGY OF FORMATION OF GASEOUS ELEMENT
21
2*
23
.FUNCTIONS FOR YB IDEAL.
HOKATOHIC GAS
CP,
GIBBS/HOL
298.
500.
1000.
1500.
2000.
2500.
3010.
13.037
16. m
20.167
22.?00
23.iB*
24.197
24.640
TABLE 4,J5>
GIBBS/HOL
-(G-H29SI/Ti
GIBBS/MOL
70.306
78. :49
90.790
99.419
106.009
111.333
115.707
70.3S6
72.0«5
7B.SH
04.117
88.798
92.790
46.262
H-K2S0,
CAL/MOL
FREE ENERGY OF
FORMAT ION,
CAL/HCL
-(C-H2901/T,
GIBBS/M3L
-143401.
-138263.
-123B35.
-106913.
-799*5.
-52998.
-26066.
0.
3052.
122BB.
22953.
34422.
46357.
50574.
41.352
61.915
43.677
45.397
46.59*
67.54*
41.148
FREE ENERGY OF
FORKATICN,
CAL/HOL
29285.
22915.
1*291.
••
I.
TKERHODYNAHIC FUNCTIONS FOR LU(OHI2 (G)
REFERENCE
INTERNUCLEIB DISTANCE, ANGSTROMS
O-H-0 BONO ANGLE, OEGREES
I 1 » I 2 » I J , G « J • GN"6
QUANTUM HEIGHT 3 * GROUND STATE OF • ! " ,
STRETCH FREOUEICT FROM H-F, NAVE NOS.
STRETCHING rOS.CS CONSTANT, H8YNF/ANGSTR0H
O-M-0 BENDING F9*GE CONSTANT, N0YHFSANG9TR0N
H-0 ANTISTIHfTRIS STRETCH FREO., NAVE NOS
(1.9(01
(129.1
1.5*2161-114
2.
( 7*1.1
(4.2571
(1.1421
( 651.1
o-n-o
(
BEN-J-M; RCQUEUCY,
wi»e N O ? .
123.1
N-0 SYMMETRIC STRETCH FREOUERCT, HAVE NOS.
( 699.1
H-O-H BENDING RiDUEHCY, NAVE NOS.
(16*1.1
HEAT OF DISSOCIATION AT 29BK TO " ( 6 1 AHQ
(2329*0.)
2(0H1 ( G l , CAL/MOL
REFERENCE OK R ; E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR R E E ENERGY OF FORMATION OF GASEOUS ELEMENT
c
23
23
PONATOMIC CAS
.
T K
29B.
500.
1(0*.
1588.
2888.
25*1.
3900.
Co,
GiaBS/MDL
13.665
16.474
28.832
22.193
23.V31
24.161
24.615
S
6IB9S/MOL
-(G-H2491/T,
GIBBS/MOl
H-H298,
CAL/KOL
74.011
81.666
94.175
102.767
109.317
114.631
1 1 9 . ' 79
74.011
75.668
02.029
87.579
92.226
96.191
94.665
0.
3010.
12145.
22752.
361*6.
46099.
50302.
-90-
FREE ENERGY OF
FORMATION,
CAl/HOL
-10514*.
-111281.
-S994I.
-77617.
•64659.
-50003.
-14189.
•
'(E-H29M/T,
GI8BS/NOL
46.152
44.713
46.(31
48.680
50.119
51.177
52.159
FREE ENERGY OF
FORMATION,
SAL/HOC
92671.
tun.
70*5*.
5*685.
41145.
2*225.
15*1*.
TABLE "..057
THERMODYNAMIC FUNCTIONS FOR HFIOHI; <GI
REFERENCE
IHTERNUCLE19 OISTAKCE, ANGSTROMS
(1.9801
O-K-0 BONO ANGLE, DEGREES
1120.1
I1»I2*I3, G"3 • CH«6
l.S07S19-llk
QUANTUM HEIGHT 3F GROUND STATE OF »2H,
(5.1
STRETCH FRECUEHJY FROM H-F, HAVE KOS.
( 781.1
STRETCHING FORCE CONSTANT, NOYHE/ANGSTROH
(k.2S?l
O-H-0 BENDING F37CE CONSTANT, HOYNE/AKGSTaOX
CO.1451
H-0 AHTISYHNETRIC STRETCH F9EQ., I H HOS
( 687.1
O-H-0 BENDING RE3UEHCY, HAVE NOS.
( 123.1
H-0 STHHET'IC ST3ETCH FREQUENCY, HAVE HOS.
I 689.J
H-O-H 9EHQING FREQUENCY, HIVE NOS.
(1601.1
HEAT OF DISSOCIATION AT 298K TO H(G1 AHO
(290800.1
2(0H1 ( G l , CAL/rOL
REFERENCE FOR F?i£ ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR F*EE EHERGT OF FORRATION OF GASEOUS ELEHEHT
C
23
23
MNATOHIC GAS
•
FREE ESSRGT OF
T K
CF.
GIDBS/ROL
298.
500.
1000.
1500.
2000.
2500.
3000.
1 3 . .67
1 6 . 76
20.03
22.193
23. kH
2k.162
2k. MS
TABLE k.OSS
S
GI39S/10L
-IG-H290I/T,
GIBBS/POL
75.S9k
93.553
96.060
10k.632
111.203
116.517
120.965
75.B9k
77.552
83.41k
«9.t6k
4k.109
90.076
101.531
1-H29B.
CAL/HOL
8.
3819.
121k6.
22753.
3A167.
k&lOl.
58381.
Fcaimioa,
i
-
CAL/HCL
-U0S33.
-115319.
-105696.
-95255.
•tklkO.
-72739.
-59762.
(E-H790I/T.
CIBBS/HOL
kk.6k2
65.288
k7.26«
k9.009
50.k72
51.719
f».7«9
FREE ENERGY OF
FMPATION,
CAL/ML
13779*.
13I9!6.
llkklS.
90261.
8»I1«.
mia.
THERHOOTNAHll- FUNCTIONS FOR TAIOHI2 (SI
MTERKUCIE1R DISTANCE, ANGSTRONS
(1.851)
0-N-O BOND ANCLE. DEGREES
(121.)
1 1 M 2 » I 3 , 6 « 3 • CH»»6
1.296275-llk
QUANTUH HEIGHT OF GROUND STATE OF • 2 1 ,
( k.l
STRETCH FREQUENCY FROH N - F . HAW NOS.
( 791.1
STRETCHING FORCE CONSTANT, NDTNE/AIKSTRON
<5.k3kl
O-H-0 BENOING FORCE CONSTANT, HDTHE/ANGSTRON
(8.181)
H-0 ANTISVrrETRIC STRETCH FREO., HUE NOS
I 776.1
O-N-0 BENDtHG FREQUENCY, NAVE NOS.
I 139.)
H-0 SYMMETRIC STRETCH FREQUENCY, HUE NOS.
I 778.1
H-O-H BCNQIkG FREQUENCY, HAVE NOS.
(1787.)
HEAT OF DISSOCIATION NT 298K TO H(GI AND
(200IOI.I
2 ( 0 1 ) (G)i CAL/NOL
REFERENCE FOR FREE ENERGY FUCTIOHS FOR GASEOUS ElEHENT
REFERENCE FOR FREE ENERGT OF FORMATION OF GASEOUS ELEHENT
23
.FUNCTIONS FOR TA IDEM..
NONlTONie GAS
CPi
GIBBS/HOL
298.
581.
till.
1518.
2811.
2581.
3111.
13.72k
15.676
19.581
21.932
23.7F9
2k.'53
2k.-37
GI69S/N0L
7k.672
82.161
9k.l7k
182.603
119.113
I l k . 197
118.828
•(C-H29»ST
GK9S/HOL
76.672
76.25k
82.klk
07.807
92.351
96.268
49.653
t
H-H298,
CAL/KN.
0.
290k.
1176*.
22193.
33526.
65371.
57S28.
-91-
FREE ENERGY OF
FORMATION,
CAUNOL
•(G-N290I/T,
GISSS/HOL
•69915.
-66131.
-15916.
-65139.
-33985.
•22652.
-11231.
66.261
66.611
66.911
kl.TT*
58.326
51.65*
52.8(6
FREE EHCRCT OF
FORNATION,
CAL/HOL
176667.
16988k.
153862.
136363.
119128.
117682.
85602.
TA8lE S.tV)
THERMODYNAMIC FUNCTIONS FOR NCOHIZ
(«)
REFERENCE
INTUMUCLOB OISTAMCE, AM6STR0HS
1.SII
0-«*0 MHO ANCLE, DECREES
(12(.»
I l * t t » I 3 , C™5 > C H « 6
l.ZZlZil-llt
OUAKTUH HEICHT OF CROUW) STATE OF « M ,
« 1.1
STRETCH FREOUOCT FROM H-F, HlfE K B ,
7«Z.
StRCTCHlNC FORCE CONSTANT, MDTNE/AKSTROP
IS.ISBI
O-H-0 KNOMC FOWE CONSTANT, HOYNF/AHCSTRO'I
((.ISM
H-0 AHTlSfmCTEIC STRETCH F « 0 . , NA»F NOS
f 7«(.l
O-H-0 BEaalME F?£aUEMCT, U V E DOS.
I 13t.t
H-0 SYMMETRIC STRETCH FREQUENCY, VXK NOS.
I 751.1
N-O-M eOlODB FREQUENCY, MVE IMS.
(171*.)
HUT OF DISSOCIATION AT Z « K TO MIC) MO
(25IIH.I
2(0H» i C > , CAL/IOL
REFERENCE FOR R E E ENERCY FUNCTIONS FOR CASEOUS ELEMENT
REFERENCE FOR FTEE EaERCY CF FOSIUTION OF GASEOUS ELEMENT
FUNCTIONS FOR H I D E M . .
MMATOHIC M S
CP,
T K GIBBS/**.
13.368
15.6(3
19.752
n.133
11.312
2«.
5M.
KM.
ISM.
2M«.
Mil.
III*.
n.«»
2».9W
TABLE * . d t *
S
eiBBS/HOl
-IS-HMM/T,
CIMS/MOL
M-HZ99,
CAL/HOL
72.1(1
79.579
91.(39
111.319
19C.H3
112.1*9
11«.5I7
72.1(1
73.7(1
79.93*
(5.3(7
(9.9S9
91.19*
97.31*
2939.
11(97.
22399.
337*9.
**H2.
*7(li.
FREE EMERCY OF
FORMATION,
CAL/NOL
(.
-I6-HZ9H/T,
SISBJ/MOL
-2**7J.
-1*91*.
-1I71S.
*1.551
tz.isT
t1.7*2
*7.t»(
*9.2*9
tt*.
tin*.
2197*.
5(.(73
•2.199
MM*.
FREE ENERGY OF
FOtMTION.
CAL/NOL
1917*9.
KMT1.
1*7992.
19*2**.
1329*9.
113(99.
9973*.
THERMODYNAMIC FUNCTIONS FOR RECOMI2 (6)
REFERENCE
INTCRKJCIEIR OISTMCE, ANGSTROMS
(1.9511
0 * « BONO ANCLE, OECRiCS
11*9.1
U > 1 2 * 1 3 , '••••S » CH»»6
l.**7*«l-119
QUANTUM HEIGHT SF CROUNO STATE OF • ? » ,
( «.l
STRETCH FRrCUCMCr FROM H-F, • • « M S .
I 79*. I
STRETCHING FORCE CONSTANT, HOYNf/ANeSTROM
(S.*3k>
O-M-0 KROING FORCE CONSTANT, WYREfANCSTRDM
K.llll
* - 0 ANTtSTHtETRIC STRETCH F*EO., HAVE NCS
I 775.1
O-M-0 (ENOTHC FREQUENCY, U Y E MOS.
I 139.1
MM) SYMMETRIC SKETCH FREOUENCT, HA«? MOS.
I 777.1
M-C-H BENOItC F L U E N C Y , NAVE « 0 5 .
117*7.)
HEAT OF OI-SOCIATION AT 2<U( TO NC6I ANO
<22(((«.l
2WM1 ( C I , CAL/KOL
REFERENCE FOR R E E ENERGY FUNCTIONS FOR CASEOUS ELCCNT
REFERENCE FCR FR5E EME4CT CF FORMATION OF CASEOUS ELEMENT
23
23
. FUNCTIONS FOR A* I D E M . . . . .
HO11T0MC CIS
T K
£9*.
59*.
MM.
19**.
2*1*.
29M.
3(i*.
CIMS/POL
13.22*
15.*7*
19.9 »
21.932
23.2*9
21.953
2*.9I7
GISSS/NOL
T3.(»l
*(.*72
92.9M
1*1.119
1(7.52*
112.11*
117.2*1
-IG-MZ99I/T,
CTMS/90L
H-K29*,
CAL/MOL
FREE FNERCT OF
FORMATION,
CAL/MCL
-(C-H29(l/T,
75.(SI
Tk.SM
M.I29
(&.219
M(.7«Z
9*.k*9
9.
291*.
117*1.
22199.
33$ Z*.
15373.
5753*.
-1*151.
•«*5(.
34*3.
15M3.
2*727.
3M4S.
MIH.
*5.13*
»5.7(*
*7.«7*
H.1M
59.1(1
51.3**
52.17*
9*.e«s
92-
eiaas'ctoL
FREE ENERGY OF
FORMTIOR,
CAUHOl
17«9*.
1*M«(.
19(91*.
133**9.
11*92*.
1**72*.
(*9k(.
T » « U k.161 THERROOTBUIIC FUNCTIONS FOR OStOHIZ (61
REFERENCE
ZHTEMUCl.E*f 3tSr«MC£, tNCSTRORS
ll.«7«>
O-H-J 6OM0 M 6 U t 0ESREE5
Illl.l
I t ' K ' I J , 6»«J • e i t " b
l.ll»7»-115
QUWTUH HEISHT OF GROUND ST»T£ OF « N ,
I 4.1 .
STRETCH FREOUENSY FROH 1 - F , MVC NOT.
C 751.1
STRETCHING FORCE COHSWKT. NOTHE/HKSTROF
H..?17>
0 4 4 KKOIW F3WE COMSHNT, MYHE/tNSSTROH
Ct.lfitl
H-O RMTISTKKTRIC STRETCH FREO.. N1VF HM
C 737.1
O-K-0 SENDINC FREQUENCY, HIVE NOS.
( 131.1
H-0 STNRET1IC STRETCH FREQUENCY, VIVE NOS.
C 731.1
N-O-H BEN9ING FREQUENCY. BAYS NOS.
I17II.I
HHT OF DISSOCIATION I T Z9RK TO HIM 1ND
(Zlllll.l
ZtOH) CGI i CU./HCL
REFERENCE FCR REE ENERST FCHETIOKS FOR C1SE0US ELEMENT
REFERENCE FOR FREE ENERCT OF FORRiTION OF S>SE0US ELEHEIfl
Z5
.FUNCTIONS FOR OS I D E M . . .
NOWTONIC CIS
-IG-MZRM/T,
GIBBS/NOl
CUBS/ML
13.1-11.
15.7ZS
911.
Mil.
I*II.
mi.
tfit.
mi.
n.ro
ZZ.IW
tl.IM
tt.tCt
t*.»71
7*.Z61
•1.761
M.lkt
1IZ.S31
1IR.ISI
llt.lt*
IK.Ilk
71.7*1
7S.IS6
M.ttS
»T.%n
«f.lM
M.IRZ
R«.«1T
H-K29S,
CtL/ML
FREE ENERST OF
FC9MTI0N,
CU/NOL
I.
Z9%l.
uwz.
mn.
ijur.
«Htt.
*7«s*.
-IC-H24M/T.
CIBBS/KH,
it%7*.
It.llt
tt.SSf
HSM.
v.m
SI.1T1
St.ttt
S».»T7
ss.sw
tZJJJ.
izni.
FREE ERERST OF
FORHRTXOH,
HI/ML
17HM.
unH.
uwn.
nun.
MRU.
1IHI.
rmt.
•1117.
T U t E * . M * THERKOOTMMOC FONCTIONS FOR XRfOMIZ CM
REFERENCE
IlfTERNUClEtR OtSUBCE. RNSSTROttS
C1.IMI
0-N-O HBO M H I , DECREES
lift.I
U*Xt*XSt « « 3 • C t t " «
l.ltl*7l-ro
CXMBTUH HEISMT 3F CftOUBO ST»TE OF • W t
111.I
STRETCH m o r a s * FROH H-F, JU«E M S .
C TH.S
STRETCHIHC FORK CWISTMIT. RMINT/MCSTROH
U.MSI
O-N-0 KNOINC F O « E COBSTUTt HBTBF/IHSSTROH
tl.ttS)
H-0 RBTISYHRETRIC STRETCH FREO.., N»TF MIS
( 7IZ.I
O H M CEHCING FREQUENCY, B«*E M S .
( ItS.I
H-0 3TBKTRK STRETCH FREOUEHCT, HUE MIS.
I 7*3.1
H-O-H KNOIRS FREQUENCY, HIRE M S .
IM3C1
BEIT OF OISSKnTION AT t M K TO HIS* MO
UTSMt.)
CIOHI ( S t . CRL/HOL
R t F U m C t FOR FREE EHERST FUNCTIONS FOR StSEOUS EIEHFJTT
REFERENCE FCR FREE FJHERCV OF FORMTIOB OF CASEOUS ELEHEM
.
CF,
T K CXMS/POL
ai.
Ml.
llll.
1SII.
mi.
mi.
MM.
tl.Stt
«.»
19.ISZ
ZZ.ttT
fl.ttt
U.1U
zi.sn
6HBS/H0L
•CC-HZMI/T,
SIBBS/KOl
7 (..111
•CUR
9».sS4
1«3.«K
7li.il!
76.»W
U.779
M.3I1
115.Z7I
119.71ft
in.sn
s
in.ni
«z.tzt
•S.IIZ
H-Httt,
CU/NOL
1.
Ztll.
l»7k.
ZZSK.
3tHI.
%SR7R.
SUM.
-83-
FREE ENERST OF
FORIHTION,
CIL/HOL
•117.
i«S7.
»ME.
MW3.
M*T7.
Iltfl.
IZISZ.
FUNCTIONS FOR IR IDEM..
HORtTONIC M S
-(G-HMII/T,
stsRS/m
tt.ZS*
RC.SM
ti.tir
SS.tfZ
S1.IIS
*>.«»
S3.MS
FREE ENERST 9T
FORHSnORr
CU/Mt
HUM.
Ullll.
tZZIM.
SIMM.
•7111.
•«H.
fZIII.
TABLE 6 . B 6 1 THERMODYNAMIC FUNCTIONS FOR PTtOHIZ IC)
IHTERNUCLEIR DISTANCE. ANGSTROMS
O-N-0 B0H9 ANCLE. 0EC8EES
Il«IZ»I3, C " 3 • CH«6
QUANTUM HEIGHT OF GROUND STATE OF MM,
SKETCH FREGiiEICV FROM f - F , HAYf HOS.
11.911)
(111. I
l.ZillU-US
( 9.1
I 6SZ.I
STRETCHING FORCE CONSTANT. HOYMR/ANCSTROH
(6.166)
O - H - 0 BENOINC F 3 « E CONSTANT, MOTNE/ANGSTRON
(L.IJS)
N-O ANTISYMMETRIC STRETCH FREQ.. U V F M S
C M . I
O-H-0 BEXCIHC FREQUENCY, HAVE M S .
C 1ZI.I
H-0 SYMMETRIC ST3ETCH FREQUENCY, MTE HOS.
( 671.1
H-O-H BEN9IHG FREQUENCY, M F E M S .
C1SM.1
H E » OF DISSOCIATION AT Z98K TO H(G1 AND
(15IIII.I
2 (OKI ( C > , CAL/IWL
REFERENCE FCS F^SE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOB FREE ENERGY CF FORK ATI ON OF GASEOUS ELEMENT
Z3
Z3
...FUNCTIONS FOR FT IDEAL.
RONATORIC CAS
T K
C».
GIMS/ML
Z9*.
Ml.
Mil.
llll.
Hit.
MM.
1(11.
13.765
16.199
Z1.116
22.219
u.*v§
Z6.lt!
»*••»
TABLE • . . • V .
s
GIBSS/MOL
76.955
82.672
95.ZS5
UI.HZ
M l . 633
115.751
Itl.ZII
-(C-KZ9M/T,
GIMS/MOL
76.955
76.615
I3.I3Z
lt.«»Z
93.Z77
97.Z97
ni.m
H-H«»,
CAUHOL
FREE ENERGY OF
FORMATION,
CAL/ML
0.
3*33.
izzw.
ZUM.
16112.
IttJT.
1*66*.
•<G-Hn»/T.
GOBS/ML
•677.
1*M6.
2169*.
65.9*1
66.lt*
69.15*
S1.9H
57.3*6
SI.661
I6.M3
itssr.
Wli>
Mm.
675*6.
FREE ENCRST OF
FORMATION,
CAL/HOL
SZ6ZM.
UHH.
*I U* m
.
N.
W H >
*•*».
m».
THERMODYNAMIC FUNCTIONS FOR AUIOHIZ IGI
REFERENCE
IKTEJMUCLE1R DISTANCE, ANGSTROMS
(1.9211
O-H-o BONO ANGLE. DEGREES
111).I
t l * I Z * I 3 , ( . « ! • CN»»*
1.216112-115
QUANTUM HEIGHT OF CROWD STATE OF »JM,
( 6.1
STRETCH FREQUENCY FROM N-F, HAVE INK.
I 666.1
STRETCHING FORCE CONSTANT, MOTRE/ANGSTRON
(3.MZ1
01HO K H I K FORCE CONSTANT. NOYNf/ANGSTROM (*.1M»
H«0 ANTISV.-I»CTRte STRETCH FREO.. Ht»E NOS
I 65*.I
O-H-0 BENDING nEBUENRT. HAVE NOS.
I 117.1
H-0 SYMMETRIC STRETCH FRtOUCNCT, HAfE WIS.
1 655.1
H-O-H BENOJNG FREQUENCY, MA I f NOS.
(1516.1
HEAT OF DISSOCIATION AT 2 M I TO NIGI AND
(lZMM.)
ZIOHI ( C I . CAl/HOL
REFERENCE FQF F « E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE »CK R U ENERGY CF FORHATION OF GASEOUS ELEMENT
»
ZI
.FUNCTIONS FOR W I D E A L . . . .
MHUTOKXC GAS
T K
ZM.
510.
MIC.
lilt.
Zfll.
ZSII.
3111.
C!»,
GIMS/HM.
13.153
16.11*
2*.191
28. J «
23.6*9
26.19*
26.66*
S
GI89S/N0L
•(G-H29II/T,
GIHPS/90L
76.332
82.111
96.756
1*3.377
1*9.96*
115. 292
U9.766
T6.J12
75.996
az.663
•I.ITl
9Z.756
96.766
111.21*
H-H29*.
CAUNOL
1.
3116.
1ZZ96.
ZZ9M.
36*29.
66.U6.
IHIt.
S4-
FREE ENERGY OF
FORMATION,
CALFHOL
-1359*.
-9111.
«6«.
1Z6*7.
2*1*7.
37*32.
51656.
-(6-MZ9II/T.
GianvnoL
63.1ZI
63.6*3
65.156
67.165
6«.T5*
69.36*
51.117
FREE ENERGY OF
FORMATION.
CAL/HOL
77AM.
7166*.
SUM.
61699.
Z*Z9*.
ISIM.
Zll*.
TABLE H.065
THERKOOVNVaC FUNCTIONS FOR HSCOH1J ICI
Z.flll
iNTERMUCLEtR MSTANCE, ANGSTROMS
113.
O-tt-0 60113 « M l £ , DEGREES
1.652966-115
I 1 » I Z » I 3 , '•.••3 • *H»«6
QUANTUM NEICHT 3F GROUND STATE OF *2M,
1.
STRETCH FSEOUEICY FROM H - F , HAVE I B S .
C 561.1
STRETCHING FDRf* CONSTANT, IDYNF/ANGSTRON
3.371
0-41-0 BENOIKS F37CE CONSTANT, »OYNE/ltsSTROM
a .139
5SJ.
H-0 AKTISTIllETMC STRETCH FREO., NAYF BOS
171.
O-H-0 BENDING FREQUENCY, IUVE HOS.
EH.
N - 0 SYIMETRIG S T I T C H FREQUENCY, MAYF BOS.
H 4 H I BENDING F7E0UEHCT, NAVE HOS.
(1563.1
HEAT OF DISSOCIATION XT Z9SK TO " ( S I AND
CUflll.l
ZI0H1 I C I , CAL/MOL
REFERENCE FC? R U ENERGY FUNCTTOIIS FOR GASEl is ELEMENT
REFERENCE FOR F*£E ENERGY OF FORMATION OF CASEOUS
:OUS ELEIIEMT
ElEKENI
11
•3
21
66
66
66
66
66
7
7
FUNCTIONS FOR HC IDEAL.
HONATORIC CAS
CP,
6I6B5/W3L
T K
296.
516.
1*11.
1516.
till.
t*M.
MM.
13.<B7
16.311
2 * . 159
tt.'tl
Z3.WZ
Z6.I99
26.6JI.
TABLE 6.663
S
GI39S/M0L
-I6-KZ4M/T,
6IMS/N0L
64.656
77.136
9*.*76
94.M5
115.271
114.592
U5.C4S
64.656
Tt.321
77.791
63.393
*A.«7Z
9*.»*t
94.531
H-K29B,
CALSMOL
FREE ENERGY OF
FORMATION,
CALSMOL
-(G-K29SI/T,
0I98S/N0L
-8TM*.
-61661.
-36463.
•9166.
1151*.
Mill.
7361*.
U.7M
47..3ST
66.319
65.161
47.lt*
67.9(1
41.7M
I.
3159.
1ZZ66.
22431.
3*191.
«.*«*.
«•«**.
FREE ENERGY OF
FORMATION,
CAL/IKJk
Till.
S3*.
t.
t.
••
I.
t.
THERMODYNAMIC FUNCTIONS FOR TLCOHIZ (61
REFERENCE
HTERNUCIEAR DISTANCE, AKSSTROW
(Z.IIM
OHHO MHO M U t DEGREES
I1ZI.I
I l * I t > t l » 6*«3 • CN**6
2.63MI5-U6
OUMiTUN HEIGHT OF GROUND STITE OF «ZM,
t.
STRETCH FREQUENCY FRO" H - F , HAVE NO*.
675.
STRETCHING FORCE CONSTANT, WTNtVANGSTAOK
(1.979)
O-H-0 CENOCW FOKE CONSTANT. NOTRE/ANGSTROM
Ct.Mtl
H-0 ANTISYMMETRIC STRETCH FREQ., U « F NOS
( ***.!
O-H-0 SENDING F3E0UCNCY, NAVE NOS.
« 43.1
H-0 SYMMETRIC STRETCH FREQUENCY, NAYE NOS.
( 617.1
H-O-H BENDING FREQUENCY, HAVE H0$.
(1139.)
NEAT OF DISSOCIATION AT 290K TO NI6I AND
(165191.>
ZCOHI 1 6 1 , CAL/HOL
REFERENCE FOR F « E ENERGY FUNCTIONS FOR CASEOUS ELEMENT
REFERENCE FOR FIEE EHEFCT eF FORMATION OF CASEOUS ELEMENT
II
5*
**
t3
.FUNCTIONS FOR TL IDEAL.
HONATONIC CAS
CP,
T K CIS8S/HH.
ZM.
Sit.
llll.
1511.
ZMI.
Z5II.
3111.
15.261
17.951
21.99*
27.75(1
Z3.771
24.366
Z6.773
S
GIB3S/M0L
-(C-N29M/I,
CHK/MOL
77.513
66.159
99.659
113.553
115.251
1ZI.6Z7
125.11*
77.513
79.339
"6.617
9Z.H6
97.3M
1*1.666
IK.127
H-HZ9A,
CAL/HOt
FREE ENERCY OF
FORMATION,
CAUNOL
-«C-H*9*I/T,
GlWSVHOL
FREE ENERSY OF
FORMATION,
CAL/NOL
-771*7.
-T319*.
-61T24.
-69656.
-12174.
-1731.
16519.
63.231
63.799
65.761
67.171
61.SI1
64.66*
5I.3H
357.6*.
Z9691.
17611.
MM.
1.
••
1.
t.
3175.
1SZ5Z.
**»1.
359IZ.
67953.
6IZ51.
-95-
TABLE t . 0 £ 7
IHEP.WOrmHIC FUHCTIOHS FOR PK0HI2 IGI
REFERENCE
XHTERHUCLEAR O I S T M C E , M E S T M « S
Z.*S*
Q-K-0 BONO 6 H C U , DECREES
49.
Z 1 * K * I 3 » 6 « » 3 • CH««6
3.Z39337-U6
QUUrriM HEIGHT OF GROOH9 ST6TE OF »ZH,
1.
STRETCH FREOUEKT FROH H-F, MVE M S .
57*.
STRETCHING FORCE COHSTMiT, HOYNE/MCSTROH
(2.9931
O-H-0 SENSING FORCE C O l S t M l , H0THE/6HSSTR0* M.3961
H-0 XHTISYMrETRIC STRETCH FSEO.t HIVE HOS
56*.
O-H-C KHDlHC nsOUEUCT, HIVE M S .
1ST.
H-0 S T M C R I C STRETCH FREOUENCT, HIVE HOS.
523.
H-O-H BEHDX6G REQUEHM, HIVE «OS.
U376.)
HE6T OF DISSOCIATION I T Z9SIC TO HI6) M O
(15MM.I
ZtDHl 1 6 1 , C4L/H0L
REFERENCE FCB R E E ENERGY FUNCTIONS FOR CASEOUS
IS ELEMENT
REFERENCE FOR R E E EHERGY CF FORIUTIOM OF GASEOUS
LOUS ELEHEHT
»
63
Z*
It
61
63
63
T
T
FUHCnONS FOR P* I D E M . .
HOH6T0RIC H S
GIBBS/KM.
29*.
5*1.
Hit.
ISM.
Zlli.
(Sit.
I*M«
16.6*5
16.9*7
21.5*7
12.696
23.616
26.2*3
26.7*1
TABLE t . l U
-IC-H29M/T,
GIBBS/MOL
73.252
61.35*
9*.343
i n . i»6
119.776
llS.ltl
lit.***
GIBBS/HOL
73.252
7*.9*3
Il.tM
•7.666
92.265
96.313
99.(22
H-H29*,
U U M l
FREE CHERGY OF
FORlUTIONi
I.
3U3.
12695.
Z3SII.
35*61.
67*6*.
591*2.
-CG-H29S1/T,
C1UHOL
ciaas/noL
61.69*
62.653
66.616
65.96*
67.165
61.tH
-775*5.
-72766.
-5*753.
•sim.
-29*66.
-»U*.
M*l6.
6«.*rr
FREE ENERGY OF
FORIUTIOH.
CAL/HOt.
31*76.
136*«.
22*21.
1U6Z.
566.
*.
(.
THERHODYRAHIC FUNCTIONS FOR U I 0 H 1 2 (61
REFERENCE
IHTCRMUCLE6R UtSTANCE, ANGSTROMS
(Z.l»>
O-H-0 60*0 ANGU, DEGREES
(129.1
I l ' I Z ' I S , 6 » 3 • CH»«6
2.**I«T7-U»
QUAHTUH HEIGHT 3F GROW} STATE OF * Z H |
Z.
STRETCH F<-qgeicT FROM H - F , HAVE « S .
i 6s».»
3TRCTCHIHG FORCE CONSTANT, HDTHF/6HGSTR0R
11.9171
O-H-0 KNOIHG FOKE COHSTMT, HOVHE/AHGSTROH
(*.M1>
H-0 AHTIST1HETRIC STRETCH FREO.i H i f f M S
I 667.1
O-H-0 •EHOIHG REJUEHCt, H6«C M S .
I 91.1
H-0 3VHHETRIC S T « I C H FREOUENCTi HAVE HOS.
I 4*7.1
R-O-H BEHOIHS REOUEMT. MVE M S .
(1*91.1
HE6T OF DISSOCIATION 6T 29*« TO H l « M O
11611*9.1
• M M <G», CAl/HOL
REFERENCE FOR R E E ENERGY FUHCTIOHS FOR GSSEOUS ELEHEMT
REFEREHCE FOR R I E ENERGY OF FORHATIOH OF CASEOUS ELEHEHT
Z6
Z3
.FUNCTIONS FDR BI IOEAL.
KMATOHIC C6S
Giaas/nn.
Z9*.
SM.
111*.
19*1.
Z**t.
Z9*».
3*1*.
15.656
16.16Z
21.177
2 2 . 9 CI
23.796
26.<t*Z
Z6.7*»
s
Glass/not.
-IG-HZ99I/T,
GIHS/HOL
77.957
66.66*
1M.316
1*9.233
115.961
ltl.322
125.1*7
77.947
79.616
•6.9*4
9Z.9T6
97.913
1*2.675
1*5.667
H-H29S,
CAL/HOL
*.
3616.
1336*.
Z6366.
3**5*.
6611*.
6I6ZZ.
-86-
FREE EHERGT OF
FOBHMIOH,
fauna
-66*63.
-63613.
-51I1Z.
-3963*.
-25616.
-17(5.
Z1679.
MG-H291I/T,
SU»S/HOI
SI6.67I
65.Z3*
67.Z**
69.7Z*
69.91*
S*.*7«
51.6*1
FREE EHERGT OF
FORMTICH,
HL/Ml
6V19I.
13993.
Z1636.
97**.
I.
«.
(.
TABLE «I.069
THEKHODTHaxir FURrTTOVS FOR POfQHIZ CO
IHTERNUCLE4R DISTANCE, ANGS1ROHS
(Z.I6I)
O-M-0 BOKO W C U . DECREES
tlZB.t
I l ' I Z ' I J , G"3 • CH"6
Z.W6W-11*
QUANTUM NEICHT OF GROUHO STATE OF HH,
< 1.1
STRETCH FRECUEICY FROH H - F , HAVE HOS.
I 698.J
STRETCHING FORK CONSTANT, nOYHF/ANGSTRON
IZ.1S3I
O-M-0 SENSING FSRCE CONSTANT, HOTIS/»HGSTROT C1.173)
H-0 ARTIST 1PETRK STRETCH FREO., NAVF HOS
I *»9.»
O-K-0 eEHOIHB REOUEHCT, NAVE M S .
(
87.1
H-0 SVHICr-'IC STRETCH FREOVEJKT, RAVE HOS.
I 699.J
K-O-H BEMOINe REQUEHCT, HAVE M S .
I1M9.1
HEAT OF DISSOCIATION RT 298It TO H!G1 AN3
Cllalll.l
ZCOHt 1 6 ) , CAL/HOL
REFERENCE FCR FREE ENERGY FUHCTI0M5 FOR GASEOUS EleNSHT
REFERENCE FOR FREE ENERGY OF FOPK1TIOH QF GASEOUS ElEHEHl
2*
.FUNCTIONS FOR PO IDEAL..
HCNATOMC C»S
CP,
GIBBS/HOL
Z9B.
5*1.
1*1*.
1510.
Mil.
Mil.
1**1.
I S . am
17.7JS
20.485
Z2.T0*
2J.7J9
26.365
Z I..7 59
TABLE 6.B78
GIBBS/HOL
-«G-H29»>/T,
GIBBS/KOI
75.881
81.. 2 6 9
97.722
1*6.585
113.271
118.ttZ
123.121
75.881
77.611
66.596
9*.5*9
75.1.13
99.539
183.117
H-HZ9I,
CAL/HOL
FREE ENERGY OF
FORMATION,
CAl/MCL
-(G-K291I/T,
GIBBS/POL
•B7«e.
.6591.
5Z361.
657*.
65.13*
".S.718
•.7.851
69.371
I.
33Z9.
131Z6.
Z*M*.
35717.
67755.
6B1VV.
se.sti
si.*«
m.
162*3.
61369.
FREE ENERCT OF
FORMTXOR.
CAUHOl
256*7.
19*78.
7*77.
1.
I.
I.
I.
THERKOOYNAHIC FUNCTIONS FOR RAIOMt »M
REFERENCE
IHTERRUtLEAR DISTANCE, 1NGSTR0RS
11.311)
O-M-0 MOO I I E I E . DECREES
1181.>
I 1 » I I » I S , "•.•»» • € « • • «
2.S277S1-IH
QUANTUM HEIGHT OF CROWD STATE OF »2N,
I l.»
STRETCH FReOUEMBY FROH H - F , NAVE M S .
C 355.1
STRETCHING FORCE CONSTANT, R0YNE/8NCSTR0H
11.116)
O-R-O KNOING FOWE CONSTANT, RDTHC/ANCSTRO* I t . M T I
H-0 ANTISTIICTRXe STRETCH FREO., NAYF NOS
I M . I
0-H-O BENOIIS FREQUENCY, HAVE NOS.
t «2.»
H-0 SYHMETRK STRETCH FREQUENCY, HAVE NOS.
I 3*9.)
H-O-H BEHOIIG FREQUENCY, HA YE NOS.
I 195.)
HEAT OF DISSOCIATION AT 29SK TO HIS) ARO
t26IMI.»
2 I 0 M 1 0 , CAL/NOl
REFERENCE FOR FREE ENERST FUNCTIONS FOR CASEOUS ELEMENT
REFERENCE FOR R E E ENERCY OF FORMATION OF CASEOUS ELEHENT
26
It
.FUNCTIONS FOR RA IDEAL.
ROHATOHIC CAS
S
UMS/IRM.
CM.
HI.
A6.<=65
1%*1*S
Hit.
ZMI.
SHI.
23.3*8
26.>>H
26.***
t n i . a.5t»
is**, tun*
cms/not.
76.329
19.5*2
99.rti
1*8.766
115.699
121.196
125.393
-IC-H299I/T,
CIBBS/NOL
7t.329
78.315
•R.I16
5Z.»'«
97.191.
ui.sn
H-H298,
C1WH01
FREE C««CT OF
FORHATION,
CAL/NOL
I.
3*36.
13*9%.
Ml**.
36811.
61919.
61263.
1C6.97*
-87-
-176198.
-1716*2.
-159571.
-166J71.
-121796.
•1*6179.
••366$.
• IC-H29D/T,
CISRS/HOL
62.15*
62.71*
66.6*1
66.CH
67.3W
69.17*
69.219
FREE ERItCr OF
FORWnOR,
CAL/ML
31211.
26233.
15*57.
1521.
I.
*.
T18LE ••.971
THERMODYNAMIC FUNCTTOMS FOS tCIOMH |6>
REFERENCE
IWTERMUCLE" MSTAMCE, ANGSTROMS
O-H-0 BONO ANGLE, DECREES
H'IZ'13, G « 3 • «<»•*
OUAMTUR HEIGHT OF CR0UR3 STATE OF »?H,
STRETCH FR CUEHCT FROM M-F, HIVE MOS.
STRETCHING FOMS CONSTANT, MOTIIF/ANCSTROH
C2.2B9)
C12S.I
3.673618-11*
z.
{U t . )
11.5311
O - H - Q BENDING r a * € E CONSTANT, MOTHE/ANGSTROM
n . i s u
IW> Al(TI5YHrETRIC STRETCH FIEO., U I E <KS
C *89.l
o«*-o BEMING Fi=auEncv. H A * w a s .
t 73.i
H-0 SYMMETRIC SKETCH FREQUENCY, W1«E WIS.
f *B9.I
M-O-H BENDING F3.S3UENCT, HAVE NOS.
11127.1
HEAT OF OI>SOei»T10tl »T Z98K TC HfEl AM3
IK-ZHI.I
ZCOHI CGI, CAL/NOL
REFEREKE FOR R E E ENERGY FUNCTIONS FOB GASEOUS ELEMENT
REFERENCE F a t R £ E ENERGY OF FORMATION OF GASEOUS ELEMENT
62
75
.FUNCTIONS FOS AC IDEM..
MN1TOHIC S I S
GIBBS/IOL
15.427
16.482
21. 3H
22.873
23.938
»».»3B
I*.IB*
298.
iff.
1111.
1511.
Zlil.
IMI.
lilt.
T I K E *.172
GIBBSSHOL
•IC-HWI/I,
CIB8S/N0L
79.113
87.986
111.119
118.762
117.516
122.19*
127.31*
79.103
11.115
81.271
9*.36*
99.3*3
113.933
117.1*4
H-HZ98,
tULSHOL
FREE ENERGY OF
FORMATION,
-CG-H29SI/T,
CU./KO.
GIBSS/HOL
I.
3*91.
135*9.
2*627.
36325.
*I*I3.
••719.
-139531.
-1161*3.
•12793*.
-117131.
-*M9».
39.9*9
*2.*2*
*6.I7I
68.28S
69.9J*
51.2**
51.122
•*****.
•ttiri.
FREE CMRGT Of
FORMATION,
CAL/NOI
9125*.
15261.
7NM.
IHlt.
%»6t.
IMS.
1ITH.
THERMODYNAMIC FUNCTIONS FOR THIOHI2 CM
IMTERNUCLEtF DISTANCE, ANGSTROMS
O-H-0 SOW] ANGLE, OCMTes
I1»I2*I3, G"3 • CH"6
o u t n t m H E T W T S F M O U N D STATE OF * 2 M ,
C2.ZIII
(lll.l
2.119556-115
s.
STRETCH FKOUEier FROM M-F, MATE DOS.
< %16.»
STRETCHING FO«Ci CONSTANT, KOTNE/AHGSTROH
(1.4311
0-41-0 BINDING FMEE CONSTANT, NOTRE/ANGSTROM 11.1511
R-0 MTJSTIIHrtRi; STRETCH F « 0 . , HIVE "OS
I *49.l
O-M-0 aCHDlK REO.UENCT, HAfE NO*.
C 73.1
M-0 STRICT rIC ST*TCH FRCOUEMV, U « E KOS.
I *»9.1
N-O-H MEN31NG R3HIEMCY, HAVE "OS.
IUZ7.I
HEAT OF DISSOCIATION »T 298K TO NIG1 W
C2I7III.I
2fOH> CGI, CAL/MOt
REFERENCE FOR R j E ENERGT FUNCTIONS FOR GASEOUS ELERENT
REFERENCE FOR R E E ENERGY OF FORMATION OF GASEOUS ELEMENT
23
23
.FUNCTIONS FOR TH IDEM..
KMATOHIC GAS
TK
HNSfRU
29*.
511.
1MI.
1511.
2MI.
2511.
3111.
15.829
16.VI3
21.322
22.173
23.439
2*.b3B
2*.9C*
GI39S/M0L
-IG-H29M/T,
CIBSS/MOL
79.155
37.939
101.173
119.435
116.559
121.9*7
K6.-J7
78.155
18.157
•7.323
9?.*17
98.396
»2.5«6
1C6.197
H-H29S,
CAL/NOL
*.
3*91.
13551.
2*627.
36325.
*t*l*.
61719.
-98-
FREE ENERGT OF
F0RR1TI0N,
-IG-H29SI/T,
CAl/NOL
GIBBS/HOt
-76186.
-72181.
-6*21*.
-5***5.
-*3759.
-31766.
•19281.
*5.*2*
*5.98S
*B.I21
*9.769
51.338
52.782
53.915
FREE ENERGT OF
FORMATION,
CAL/HOL
127761.
121267.
115588.
9U11.
767*6.
63716.
51*56.
TIBLE * . a n
tHE^naatam
c FUNCTIONS F O I P A I O H I 2
(Gi
EEFERENCE
INTERKUClC4g DISTANCE, ANGSTROKS
O-H-O BONO 1H51F, QEGR-.ES
I i » I Z » I 3 , 1—3 • C H « 6
QUtHTim WEIGHT OF CKOUlia STiTE OF »2H,
STRETCH FeECU£>nr FROH H-F, HUB BOS.
STRETCHING F0Stt£ CONST«NT, H3YHES1NSSTR0H
o - K - o B E N O ; N 6 F O C E CONSTANT, KoiHFfimsv.Qn
(2.1501
< 128.1
3.222631-11*
12.
« *SJ.l
(1.5171
21
ta.asn
H-0 ARTIST'KETqlC STRETCH FaEO., HA»F HOS
I **5.l
C-H-0 BENStKS R2JUEKCY, HA*E SOS.
< S3.)
H-O STIWETBIC STI2ICH F3E0UENCT, HUE N05.
(M5.I
H-O-H BEHDIKS F39K1EHCY, « » « HOS.
(1197.1
HEAT OF DISSOCIATION AT 298K TO H«G1 IKO
(231139.1
2IOH> I C 1 , CAL/301
REFERENCE <"ca F ? £ £ ENEMY FUNCTIONS F0» GASEOUS ELEHEKT
REFERENCE FC3 F?=E ENERGY OF FOStlUTION 0 7 CASEOUS ELEMENT
60
EST
.FUNCTIONS FOR PA IDEM..
RONATONIC GAS
CO,
GIdBS/K>L
298.
506.
Kit.
1510.
2I0B.
ISO*.
MOO.
1S.*37
14. t l
21.ibl
22.743
2*.399
Z*.;«3
TABLE *.»7V
Gisas/wi
-(G-H298I/T,
GIBPS/XOL
81.937
93. H .
10t.263
H3.17B
119.3J*
12S.26*
129.7*9
81.9*7
87.79*
90.421
4F-.426
IC1.464
116.82*
1*4.618
H-H298,
CAL/NOL
FREE ENERGY OF
FO*i»nan.
•IG-H29S1/T,
GIBBS/Ml
CAl/HOl
0.
3*18.
133*2.
2*363.
36038.
»!«•»•.
•CHI.
(*7.*19I
f*8.8611
-33173.
-79632.
-69591.
•61363.
-SIJ**.
-»»351.
-34511.
(51.4921
(53.3161
(J*.3)11
155.29)1
FREE ENERGY OF
FORMTXON,
CAL/HOl
115227.1
1193*7.1
4SS33.I
74887.1
ifllf.l
13*15.1
34811.1
THERHOOrmHtC FUNCTIONS FOR U(0K>2 161
REFERENCE
IKTCRNUCLE1R DISTANCE. 1NGSTR0NS
(2.111)
O-H-O BONO IKGlEt OEGREES
(12B.1
t l » I 2 « I 3 . G ~ J • CH»»6
2 . 8236 J * - U *
QUANTUH HEIGHT OF GROUND STATE OF »2H,
4.
STRETCH FRECUEMCT FRON H-F, HAVE NOS.
( *9*.»
STRETCHING FORCE CONSTANT, nDVHF/'NGSTROH
(2.1111
0 - . \ ' 0 BEHQING FORCE CONSTANT, NOYNCrlHGSTRCH 1 0 . 0 7 3 )
H-0 ANTISYHKElRIC STRETCH FREO., Ml*? HOS
I 6S7.I
O-H-0 KNOING FUauCHCT, HAVE HOS.
I S7.I
H-O SYHHET7IC SKETCH FREQUENCY, HAVE NOS.
( *S7.»
H-O-H BENDING FREQUENCY, HAVE DOS.
(1199.1
HEAT OF OrSSOCIJTIOD AT 238 K TO H(GI U D
(226)11.1
2(0H> 1GJ, CAL/ROL
REFERENCE FOR R E E EHERGT FUNCTIOIS FOR GASEOUS ELEItENT
REFEREICE FOR F?EE EHERGT OF FORMATION OF G1SE0US ELEHENT
21
23
23
.FUNCTIONS FOR U IOEAL.
HONlTDKtC CIS
CP,
GIBBS/rot.
298.
sa«.
iaiB.
is«».
2M«.
2590.
3H0.
15. • «
17.697
21.967
22.6*5
Z3.723
2 * . 361
24.756
-(G-H24SIST,
GIBBS/HOI
80.669
89.125
102.561
111.618
U S . 122
123.1.72
127.451
80.6*9
«2.*77
«9.*S2
95.378
HB.253
1C4.391
U7.4HT
H-H296,
C1L/H0L
FREE ENERGT OF
-(G-H298tST,
FORMATION,
GXBBS/IIOI.
CU/HOL
».
332».
13189.
2*06».
35619.
*7726.
60C12.
-99-
-78576.
-7S952.
-67982.
-57S96.
-*6W3.
-;«30i.
-21700.
*7.72*
4B.378
50.61k
52.366
53.825
55.188
56.263
FREE ENERGY OF
FORHATXCNt
ClL/rUL
11*355.
117215.
91358.
75*59.
61831.
*S65S.
35711.
T»BLE I..075
THER*00TH3NIC FUNCTIONS FOR HPI0MI2 (CI
REFERENCE
INTERMUCIE^P DISTanCE, ailGSTROHS
O-H-0 80IID eiiGLE. OEGREES
I 1 » I 2 » I 3 , G " J • CM«6
OUlHTUf HEIGHT OF GROUND S U I l OF »?H,
STRETCH FR-GUEICT FROH 1 - F , HBVE "OS.
STRETCHING FORK COHSTSHT. NOYHE/SNGSTROH
O-H-0 BEHOIhG F3?CE COUSiasT, HDYKF/«NGSTRO!
H-0 INTISTIHETRIC STRETCH F 3 E 0 . , «a»F H3S
O-lf-0 EENOING F7E3UENCY, U1VE ROS.
H-0 SYMMETRIC SHETCH FREQUENCY, NBVF NOS.
H-O-H BENDING F^SOUENCT, NAVE » 0 S .
H E I T OF O I S S O C M T I O H a r 2 9 « K
TO H ( G I a m
(2.0901
(129.1
2.669*6*-ll*
6.
( 515.1
(2.352)
(0.073)
( 506.)
( 10.)
( 506.1
(121.0.)
(2iiaoo.i
2 (OH) ( G ) , G1L/HOL
REFEREICE FOB F?EE ENERGT FUNCTIONS FOR GasEOUS ELEHFHT
REFERENCE FOR FREE ENERGY OF FORHaTION OF GaSEOUS ELEMENT
60
67
.FUNCTIONS FOR HP IOE'L.
FDNiTOHIC Gas
-IG-H299I/T,
CP,
GIBBS/POL
298. 14. 572
SIO. 17.518
1010. 28.478
1580. 22.61.9
2181. 23.706
2518. 26.3**
Sill. 2*. 7*3
Giaes/«at
79.532
67.695
101.236
110.066
116.7*8
122.10*
126.581
T8BIE 1..075
H-H298,
CaL/KOL
FREE ENERGT OF
F09IUTI0H,
cauxot.
-tG-H298IST
GIB8S/M0L
-9«*3T.
-35232.
-71875.
-58281.
-**295.
-30217.
-16015.
*7.229
(.7.796
*9.«72
51.668
53.286
Sft.SU
55.6*9
8.
3288.
13006.
23926.
15537.
*7563.
598*2.
79.532
81.320
88.229
9b.116
98.972
183.874
186.63b
t
FREE ENERGT OF
FORMATION,
Ctl/NOL
87303.
626*3.
7697%.
59305.
»763i.
35967.
2*299.
THERROOTNanlC FUNCTIONS FOR PUIOHI? (Gl
REFERENCE
INTERNUCIEIB DISTANCE, 1NGS>RC«S
O-K-0 8CN9 1HGLE, DEGREES
U » 1 2 " I 3 , G«»3 • E H « 6
QUOTUM HEICHT OF GROUND STtTE OF » J » ,
STRETCH FRECUENCr FROM H-F, H8VE NOS.
STRETCHING FORCE CONSTINT, "OYNE/aKSSTROP
O-N-0 BENDING F 3 « E lUMSUNT, N3THE/anGSTR01
H-0 1NMSVXCTRI? STRETCH FREO., Na«c u o s
O-R-0 KNDING F L U E N C Y , HftfE NO?.
N-0 SIWIETUC STRETCH FREQUENCY, »a»F NOS.
H-O-H KHOtHG FREQUENCY, HUE NOS.
HE6T OF DISSOCIATION a t 29S« TO «IG) 1NO
2(0MI
(Gl.
12.0*0)
(180.)
1.697*68-115
1.
I 515.1
12.1521
10.3761
I 596.)
I 49.)
( 595.1
(12*0.)
1262800.1
Gll'NOL
REFERENCE F « F t - E ENERGT FUNCTIONS FCR G»SEOUS ELEMENT
REFEREICE FC» FREE ENfCGT CF FORHaTION OF GtSEOUS ELEMENT
23
23
.FUNCTIONS FOR PU IOE8L.
•UW&T9NIC G1S
CP,
T K GIBBS/HOI.
296.
588.
1886.
1588.
2818.
2586.
3688.
1*. t73
17.«l4
26.S78
22.6*9
23.786
Zt.Ht
2*.7*3
-CG-H298)rt,
GI39SSN0L
73.259
81.622
?*.963
IB3.79*
118.*6S
115.332
120.338
73.259
75.6*7
111 .9*6
87.8*3
•2.699
96.907
IPC.361
H-H29B.
C6L/NOL
FREE ENERGT OF
F04IUfION,
-CG-H298I/T,
C1L/HOL
GIB'S/HOL
8.
3286.
13867.
23926.
35538.
*7563.
598*2.
-100-
•i3l8t.
-86712.
-75100.
-59971.
•*399".
-276*2.
-10921.
»2.*17
*?.SS9
*5.09S
*7.157
*o.033
5C.T31
52.25*
FREE ENERGY OF
FORPUTICN,
CaUHOL
75158.
69*86.
57258.
65992.
3*736.
23328.
11766.
T1BIE 4.077
TKS(WO0TN»HIC FACTIOUS FOR MfOHl? [CI
REFEREHCE
INTERKUCLE" OISTHUCE, MCSTROKS
I2.6S8)
O-N-0 BONO iNSLEi DECREES
IU9.I
U » I Z » I 3 , 5 » 3 * CU»»6
1.697539-11*
QU1MIW HCtQfT IF GROU'IO ST*TE OF • * « ,
6.
STRETCH FRECUSICT FSWH 9 - F , «»VE MS.
t SlS.I
STRETCHING FORK CONST**!, HO*WF/«WSTHDM
(2.3521
OHI-0 BENDING FMCE COHSTtMTi HQTHE/««STR01I
(B.87M
N-0 MTISTHKETSXC STRETCrl F«EO., M f E ROS
I S86.»
O-H-0 3EK0IIC F3EQUEJCT, " H E HOS.
I 9».l
H-0 $T«IET4IC STRETCH FREQUENCY, NME MBS.
I 585.1
K-O-H BtKOIHG FtSOUEHCT, IUVE M S .
112*1.1
HE8T OF DISSOCIATION »T Z95K TO H(Gl MO
1217111.1
ZIOHI C6>i CAL/HM.
REFERENCE FOR R E E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFEREHCE FCR Ft=£ EHERGT OF FORMATION OF G*SEOUS ELEHEHT
66
S3
•FUNCTIONS FOR IN IDEM..
HNMTOKIC C t S
TK
29s.
588.
UH.
1SDI.
zoos.
2511.
3010.
-(G-F29M/T,
GI9BS/H0L
C=,
GIBBS/KIL
1*.47*
17.>:i9
26.S7B
22. 6*9
23.7U
2*.3**
2*.7*3
T6BIE * . 0 7 S
77. H I
55.(85
99.1*6
107.977
11*.ESI
12il.il5
12*.*92
77.4*1
79.229
S6.139
92.626
96.682
112.490
lOk.S**
H-HZ9B,
CHL/MOt
I.
«SS.
13867.
23926.
35539.
*7563.
691*3.
FREE ENCRGT OF
FOSMTION,
C1L/HOL
•IC-H298I/T,
Giassrna.
*6.*72
*7.635
*8.997
5P.516
$1,711
•11«3*2.
-1127*5.
-96*6*.
-83596.
•66191.
-5S*«2.
-J6567.
».«»!
»s.»n
FREE BCERCr OF
FOfNtTXON,
CtL/ML
56* 6 f .
W H .
28508.
16*11.
•311.
THERNOOTNMflC FUNCTIONS FOR CHI0HI2 (CI
REFEREHCE
INTERNUCLE1R DISTANCE, MSSTRONS
(Z.ZIOI
O-H-0 BONO ANGLE, OECREES
1120.1
X 1 * M » J S , r.*»3 • CH»«6
3.72823*-ll*
QUANTUH HEIGHT OF MOUN0 STATE OF »2H,
9.
STRETCH FRECUEHCT FRON H-F, HIVE N05.
C »l».l
STRETCHING FORCE CONSTMTi NOTHF/INGSTROR
11.9311
O-H-0 BENDING FORCE COHSTART, HDYHE/ANGSTROtt
(0.IS1I
H-0 MTXSYHNETRIC STRETCH F 9 E 0 . , H*«F N05
I *88.l
O-H-0 BENDING FREQUENCY, HAVE NOS.
f 73.1
H-0 STIWETRIC STRETCH FREQUENCY, HIVE HOS.
{ *I7.I
H-O-H BENOINS FREOUENCT, HAVE M S .
11627.1
HE»T OF OI5SDCIATIOH AT Z96R TO NIG1 ANO
(226866.1
2<0M ( G l , CALSHOL
REFERENCE FCR F«£E ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFEREHCE FOR FREE ENERGY OF FORMATION OF GASEOUS ELEHENT
21
66
EST
•FUNCTIONS FOR CM XOEAL.
FOIMTDHIC GAS
CP,
T R CIBBS/KH.
291. 15.633
588. 1B.*B*
I H I . 21.322
iS6B. 22.573
2101. 23.638
2566. z*.*;o
3100,
2*.It*
-I6-N2961/T,
GIBRS/HOL
61.191
93.076
163.911
112.673
U.9.S9T
12*.90S
1Z9.*75
81.191
S3.69*
98.366
96.*5*
161.*3fc
1SS.623
189.235
H-N298,
CAL/HOL
6.
3*91.
13551.
2*629.
36326.
*i*6S.
61728.
-101
FREE ENERGY OF
FORMATION,
CAL/HCL
-1171*6.
-111969.
-96621.
-851*7.
-717*6.
-58**9.
-4*2*6.
-IC-H296>/T,
GIB9S/HOL
67.666
*7.769
SB.279
52.17*
53.62*
5*.766
99.7*9
FREE ENERGY OF
FORltMIOR,
CAl/HOL
761*3.1
71797.1
«nsc«>
I01I7.I
39262.1
16*17.1
17572.1
TABLE * . » 7 *
THERKOOTHiMte FUNCTI0N5 FOR &U0NI2 ICI
REFtRERCE
INIERNUCLE** 0IST4HCE, •KGSTMKS
I2.2MI
O-B-O B0H3 4MGLE, DECREES
tlM.I
n « n » B i G « S • CH»»6
3.72*346-116
WMNTU* HflCHT OF G W O STME OF »»H,
l i .
STRETCH F^rcucicr FROH B>F, W « F M S .
I 615.1
STRETCHING FORK CONST1MT, KOYBE/MICSTJW*
(1.5311
O-H-0 BEMOtHC F O « E COMSTMT, H0THF/6NCSTROH
Ct.lSlI
H-0 lnnSYfKET=IC ST4ETCH FBEO.t «»*F «C5
t ttt.l
O-R-O BixaittG FREQUENCY, tuts nos.
i ?J.I
H-0 SrHHET?IC STRETCH F3EQUERCT, HIVE M S .
I 697.1
H-O-H BEJratNG FIESUEHCT, U K E NOS.
(1127.1
K I T OF DISSOCIATION » I ?9SK TO MICI M D
1221*11.)
2 (OH J CCI, ClL/HOl
REFERENCE FOR n a ENERGY FUNCTIONS FOR CISSOUS ELEMENT
REFERENCE FCR F « E ENEHST CF FQRMTION OF WSEOUS ELEHENT
11
EST
EST
.FUNCTIONS FOR 6 * I 0 E 6 L .
• o u n m c cis
T K
CI*,
CIHS/MOL
29*.
Stt.
till.
1511.
till.
Hlf.
Jill.
15. « 3
1I.IH
21.722
22.»73
23.«J«
26.631
26.9*6
TABLE •..OBI
S
GIB3S/H0L
-(S-H29M/T.
63.5*3
92.319
1*6.223
115.115
121.919
127.291
131.217
n.sn
citussxai
K5.6I6
92.672
96.766
MJ.76*
117.919
111.567
H-H29*,
Cll/MOL
FREE CMCRCT OF
FORMATION,
CAL/HCL
1.
3*91.
13551.
2MX*.
MIH.
6*6*5.
•I7ZI.
•IC-Hf**>/T.
CIIIS/MOL
•1**929.
-1*521*.
-96*57.
•*6«l*.
-73M(.
•617(2.
•51*9*.
(61.1621
(69.2121
(51.5*71
CSLlttl
< 56.7*71
(59.9*6)
t;«.9ui
FREE UERCT OF
FDRNATIOH,
Cll/ML
1
1
(
<
1
1
«
IHII.I
76IH.1
fllH.I
i t m . i
3MH.I
2MH.I
IHH.I
THER«00tNMIC FUNCTIONS FOR CFI0HI2 ICI
REFERENCE
IKTtftKUCLEW 0IST6HCE, 6HGSTR0»5
12.2111
O-H-0 6 0 * 0 ANGUi OEGREES
11*1.1
I 1 M 2 » I 3 , 1 « S • CH«6
2.119*16-115
UU6NTUH WEIGHT 3F GRDUNO St ME OF »p«,
IT.
STRETCH rtcaact
FROM N - F , m»f m s .
i »H.I
STRETCHING FORCE CONSTANT, rOTNE/ANCEngr
I1.S311
O-N-Q OEHOINC F9%E CONSTANT, MOTKE'MCSTROI
ll.lfll
R-0 mTISTWCTiUi; STRETCH FtEO., » i » r HOS
C 641.1
O-H-0 BEN3IMC FREQUENCY, HAVE NO*.
I 73.1
H-0 SYMMETRIC STTETCH FRcOtENCT, WA»F HCS.
I 6*7.1
H-O-H ttlOIHC maUENCY, HAYE NOS.
11127.1
HEAT OF OISSOCIIUCM AT 2 9 * ( TO HICI (NO
(2*3«*>.)
2 ( 0 1 1 CCI, CAl/MOL
REFERENT* FOR F*EE ENER6T FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FCR F « E ENERCT CF FORMATION OF GASEOUS ELEMENT
21
EST
EST
.FUNCnORS FOR CF I D E A L . . . .
HQNRTOXIC CAS
T K
MB.
Stt.
lilt.
1SI0.
2111.
25lt.
3tlt.
CP,
GlSRS/fOL
1S.B23
1I.4S5
21.322
22.B73
23.S»
2*.l,«
24.9C*
S
SI995/N0L
-(C-K291I/T,
GIPBS/NO'.
BI.BB1
S9.CI7
1B3.S21
112.«Bk
119.2iB
12«.S9fe
129. 56
tr.asi
«7.7Dk
•a.QTB
w.esk
IBl.lkk
tt5.7".
!*«.**£
M-M9t,
etwox.
FREE EHERCT OF
FORUTION,
UUMl
1.
3*92.
13S51.
2U29.
36326.
«9kK.
60721.
1C2-
-1*6261.
-112716.
-9213*.
-I262*.
•69239.
-S9961.
•«266l.
-IS-K29»I/T.
CHM/MOI.
166.7961
167.3971
169.3261
191.1761
IJ2.U9I
(93.1*71
(96.1761
FREE ENEtCT OF
FORNtTlaR,
CK/WH.
I
I
1
(
1
1
1
611*1.1
19III.I
62*11.)
2MM.I
1MII.I
tlll.l
-21*1.1
T i n t k.aat
THMHootmmr Functions F O I rstOHi; I C I
UFttEaCF
IHIUMUrLt..* OISTINCE. MCSTMrS
IZ.Xttl
O-H-0 80*0 M K l £ , KS4EES
<*ll.l
X1*XZ«I3, S " 3 • CH»«*
I.47SZU-11S
outrun * : I C M T or w o t n j s t i t r OF t z * .
tt.
STIETCH F« m e t e r F * O * « « F , KIVF NOS.
C «tt.i
S T K T C M M F U R CONST**!, «0tl*7IWST»aii
U.TMl
O-H-0 K M f B C FO«E COHJTIBt, JOTrf/IUC^WOT
(LIST)
••o W T I S T u s t a i ! STSTTCH F<eo.
xi«r tot
t *J7.»
O-N-O K I O ! W n:au£«c», «**e «os.
(
ri.i
N-0 SOMETHC STRETCH F*.tOUENCVt K»*» MJS.
I tlt.l
IJ-O-H K I U H I C FlEaueiiCT, U « E "OS.
(1191.>
HUT OF OISSOCUTIOB I T 2 M B TO »(CI U 1
CZMIM.I
ZIOM I C I , CH./KM.
• m i c a c c r e * mz e « » c i F a c t i o n s ™ CJSEOUS ELEHEKT
U F M E i r r F C * m e C * £ < S T CF rcmmtrxem OF caseous E I T B I K T
zi
a
EST
EST
.FWCTIOBS FO* U t X H .
•OUTONXC SIS
T -t
MB*
1619*
i f IB*
2CIC*
Zftf •
Il'l*
o.
GUBS/nOt
s
GI44S/WU.
-«C-«I«>/T,
cms/nci
IS.SM
11.1*7
zi.tw
ZZ. M l
Z3.lt*
Zk.kt*
n . MT
•CISC
M.ITZ
ItZ.Stl
111. *W
111.1ST
lZI.fTt
1Z«.9%*
•Z.II«
«*.17t
•J.Z1*
HI.1M
llk.311
117.«U
T1H.C k . l K
»».«•
M-Hjli.
CU/HOL
FtEE ! « K > OF
-te-«zw/T,
retwTioa,
CU/HOt.
c»ts/i«i
1.
SfcZI.
13311.
IU!1<
HISS.
•113171.
-lllktl.
-mi*.
-irki*.
-7*7M.
tkt.71*>
tk7.*»l>
tkl.ZMI
m.rrti
*•»«.
•ktm.
-«»»».
(ft.Mtl
ISS.IMI
•I'M.
F i t * fJKtCT OF
FOMtTIOB,
CU/W.
I
«
I
t
I
I
I
INH.I
IHHil
IUH.I
IUH.I
1MII.I
WN.t
l.t
T M O t n a O n M l t FUCTtOMS FO* FHIOHIZ CCI
WFRENCC
I N T U M J C I C * * oisnaect IHSSMOBS
tz.izu
0 * 0 «9*D MUEt DEWIEI
MM.I
i i * t i > i i f « « s • cm*
I.IIHW-U*
flUMTUN MIGHT 9F tftOWM STITE OF • « ! ,
I I .
STCCTCH HtOUOCT F*fl" n * F , • » « «0S.
t kTT.l
StttTCHlBC FOtEJ COaSUVT, WTME/MCSTMN
tZ.SZkl
0-«*0 O m l k S FJKCE COMSTMTi DOTMF/laKttOn
II.H7I
n-0 INTISTHMEtKtC SKETCH F t t O . t ««»E M S
I kM.I
* > » - 0 M M K C nEQUCHCT. H t t t M S .
I «*.!
M-0 STKHET^tt STVTCH FtiOUWCT, W « M S .
I MO.t
M-OHI oEM'KC F l ' S K I C T , • » « K f .
ttUl.l
H U T or ot^socnnojt M I M K TO « I « M O
m**M.t
ZIOHI i c t . cu/nov
•EFEKicr FC* net W C T Funcnoas FO* OSCOOS HEnein
tlFEWCr FO* n - E EHE*CV OF FOWaTlm OF S4SEO0S tXEMEMT
Zt
est
EST
.FaMeriaas FO* F * I O E M . . . . .
tmicut
.
c».
T K ciaesftn.
Ml.
Sll.
IHI.
ISM.
ZHI.
ZSII.
llll.
IS.Ztt
17.«T1
Zl. « •
ZZ.TCT
Z3.7H
Zk.311
Zk.zer
s
CI09S/1OL
T9.1ZB
•Z.aT*
1I1.ZIZ
lll.lSk
U6.T7T
122.151
U6.6N
-IC^<Z«H/T,
GIMS/^Ot
H-«M4S>
cu./«L
T9.XZI
•I.4S6
I.
33M.
13217.
Mill.
SMS*.
kTMI.
tH73.
•r.«ts
I'.Hl
W.M1
Mf.W
W.S7S
-103-
F M E ntcasr OF
' VotMTIn
C*l/"Ol
-UIIIZ.
•US1M.
-1IM13.
-1Z1U.
-T9t»l.
1 W * .
-»k*l.
•IC-iOMl/T,
SXOSVML
FtXE D K K T OF
FOaMTIOHi
UU»OL
lk«.3«7>
Ik».Slll
tkfl.I7kl
ISI.ktK
CS1.*Z*>
<$?.»tl>
IS3.SMI
S7IM.I
HIH.I
4HII.I
Mill.l
tHH.I
tnii.)
3111.)
TlStc » . W
THSRMOTRWK FwHrtlOHS FOR M0tOH)2 1C1
REFEREMCE
IMHRMJCLMI OlST*hC£. (MCSKOW
O-H-0 Mtig MHZ, OECREES
II«II"HI
C«»J •
CI.SHI
«»».»
« » • *
l.tiTur-ti'
SUUTUH HS'CMT OF GROUND STATE OF • » " ,
I.
STRETCH FRECU£«e» FKM H-F, MTT HO!.
I Slt.l
STRETCHING FORCE COHSTMI, HOlW/WSTROI!
(2.3S2I
O-N-0 K N 0 M 6 F31CE CONSTANT, ttOtHF/lHGSTRO*
fl.1711
H-4 M t U V M C I X I C STRETCH F « 0 . . "ME M S
( 5*5.1
0-14-0 KMDIK RiQUtNCT, NA«E HCS.
f 5J.I
H-0 STIMETR1C $T«TCM FttOUENCT, * » « t NOS.
I 51*.l
H-O-H OENOHG r^OUCNCT, HAVE M S .
(1Z*I.I
NEAT OF DISSOCIATION AT Z9M TO MCCI WO
12(7*19.1
ZI0F1 I E ) , C1L/"CL
REFERENCE FCR FJ££ EHERG1 FlMCTIOkS FOR CASEOUS CLEMENT
REFERENCE TOt n.-.{ EHSRCT OF FOWATIOK OF GASEOUS ELEMENT
21
EST
EST
. F U N C T I O N S FOR M I D E A L .
MON1T0MC GAS
GUSs/rOL
Ml.
1*.«7A
17.521
20.179
Ml.
llll.
UK.
»(••
ZI.TM
Z*.3*t
Mil.
IIM.
z«.7u
SIS5S/40L
-•G-HZ9II/T,
GIMS/MSL
77.597
55.463
99. » *
111.136
ll*.ltt
121.17*
1Z*.*U
77.147
79.346
Pt.ZW
9Z.il*
97.HI
111.1*9
lit.71?
s
H-HZ9I,
CIL/HOL
FREE ENCRCT OF
F CAUTION,
CAL/ttOL
f.
3Z«1.
-(6-H29U/T,
ctm/not
-126715.
-12U1I.
-1I9H1.
-97*22.
-•kill.
-6*975.
mil.
znzi.
ZIMI.
«7Mf.
C*5.*1ZI
U5.575I
1*7.4371
(*«.*<•>
119.6*3)
cst.fzri
-urn.
*«***.
(92.6I2I
FREE EMERCT OF
FORMATION,
CAL/NOL
I
c
I
I
*7«ll.l
»2tit.>
ZMIt.l
lllll.l
C MM.I
(
t.l
! -Illl.l
TAHE * . I H TNERHOCTNMIC FUNCTIONS FOR MI0MI2 «GI
REFERENCE
IKHRHUCLEt* DISTANCE, ANCSTROKS
IZ.Itl)
O H M BONO ANGLE. DEGREES
ltll.1
U n t * f * » '".••3 • SH»«*
t.572166-115
OUANTUN HEIGHT 9 F CROUHO STATE OF ttH,
1.
STRETCH FRECUCHtt FRJWI t - F , NATE M S .
I 556.1
STRETCHING FORCE CONSTANT, MTHE/MCSTROH
12.75*1
OHt«0 KHOIIC F3tCE CONSTANT, HOTIIF/JINGSTROH 11.1921
lt-0 ANTISYWCTRIS STRETCH FREO., KITE M S
I 9*7.1
O-H-0 KNOINE FREQUENCY, HANI NOS.
I 99.1
N»0 STHRETRIC STUTCM FREOUENCY, H»«* NOS.
I 9*6.1
IHWI SENDING RSflUENCT, NAlE M S .
U33I.I
K » OF 0 I S S 0 C U T 1 0 * AT 296K TO »»S> 1H9
tlSSMI.I
ZtOKI I G I , CAL/KM,
REFERENCE ' 0 « R E E ENERGY FUNCTIONS FC4 GASEOUS ELEMENT
REFEREKC FOR F*cE EDERGT OF FOM1TI0II OF GCSTOUS ElEllERT
M
EST
EST
.FUNCTIOIS FOR MO IDEM..
rOM&TQHIC GkS
CP,
T K GIBSS/FOL
Z9R.
511.
llll.
1511.
Zlll.
ZMI.
3110.
It.5*6
17.1*2
ZI.679
22.-*S
Z3.S**
Z*.^C3
Z*.71S
-IG-HZ99I/T,
M-H2M.
ctess/Koi
72.1*7
S1.I21
9*.15S
192.926
103.576
11*.929
119.399
72.8*7
7*.S9*
«1.J«T
87.1S9
91.9»3
96.1*6
99.576
FREE ERERGT OF
-CC-Hr98»/T,
FORIUTIOR.
GIBBVMJL
CAL/IKH.
I.
3213.
1Z7II.
23635.
55217.
*72|7.
59*6S.
134-
-1*3*99.
-1ZI*53.
-11S9IZ.
-1I«*9Z.
-751S3.
-5KZ**
-25019.
Ci.1.3521
1*1.915)
n;.im
1*5.3971
f*6.59ll
1*7.5*11
1*9.3611
FREE ERERCT OF
FORRRTIO*!
ML/MI
ZBIII.I
23111.1
lllll.l
l.l
l.»
».l
l.l
T1BIC *.3J5
TKERPOOTRUIIC FUNCTIONS FOR UKOHI* :CI
REFERENCE
IMTUHUCLE1C 9ISTANCE, ANGSTROMS
OHIO BONO ANCLE, DECREES
X1>IZ*XJ, r . " J • C H " 6
QUANTUM HEIGHT OF SHOOIK) ST H E OF »2H,
STRETCH FR-TOWERCY FROM H - F , HAVE HOI.
5TRETCHINC FORE noKSTMT, IRJYNE/AHCSTROH
OXI-0 BENDING FMCE CO:ISTABT. NOTNE/AISSTROH
M ANTlSYRrETRIC STRETCH F-JEQ., NAYE NOS
OHIO SENSING FREQUENCY, MAYE MIS.
IX. I I I !
(12«.)
2.1915e2-ll*
2.
C 6I*.I
C3.2S*>
Cl.llll
I 5**.I
I Mt.l
H-O.JTIUFHIC SKETCH FREOUEHCT. MYE « S .
I «93.t
M 4
11*33.1
etaouc
F I S O U E N C T , HAYS w i s .
H
MOT OF 0I5S0CItTIOa »T Z9AK TO H(CI U S
(22)188.1
2 ( 0 * 1 IC1. CAL/-WL
REFERENCE FCR F*££ ENERGY FUNCTIONS FOR CASEOUS ELEMENT
REFERENCE FOR F*££ ENERGY OF FOHATIOH OF GASEOUS ELEMENT
EST
EST
.rgaCTIONS FOR IN IOCAL.
KONATOHIC U S
-(G-M249I/T,
GIBBS/«OL
CP,
GIBBS/POL
I*.218
16.733
Zl.**k
!{.*»
23.5(9
It. II!
2*.Oil
CM.
511.
till.
MM.
Mil.
till.
Mil.
TABLE * . M $
76.315
«*.29a
97.191
11$.119
112.511
117.tfl
122.113
76.319
71.129
e*.6*3
9*.391
99.196
99.131
llf.tM
H-M29I,
C1L/HOL
FREE FNERGV OF
FORRATION,
CAL/HOL
I.
3139.
129*7.
23317.
Mill.
»6?99.
991*1.
-(G-H298I/T.
CUSS/MX.
-93699.
-91766.
•11319.
-69*61.
-ItS*t.
•*96*7.
-11711.
FREE ENERGY OF
FORHATIOR,
CAL/HOL
Mt.lRI
Uk.711)
(kt.llll
(*8.tH>
(91.1191
93* H . I
MIH.I
71111.1
9MII.I
61IH.I
IHIt.l
UIH.I
m.irn
(12.1991
THERIWOTNAHIC FUNCTIONS FOR I k l W I t 161
REFERENCE
THTERNUCIEIB OKTANCE, ANGSTRONS
11.9911
O-H-0 I0M9 ANGLE. DEGREES
(121.1
I 1 » I 2 « I 1 , C " 3 • CIY»»*
l.««1291-ll*
QUMTIM HEIGHT 9F 6R0UK0 STATE OF «2N,
( 9.1
STRETCH FREOUENST FRON N - F , NAVE M S .
I 679.1
STRETCHING FORCE CONSTANT, mVNE/ANGSTRDH
I*.16*1
O-N-0 BENOIHS F 3 « E CONSTANT, KOYIIE/AKCSTRD'I 1 1 . 1 3 9 1
H-0 MTISTItlCTRIC STRETCH FREO.a U * F NCS
( 66*.l
OH«-0 BEN9ENG FREQUENCY, NAYE NOS.
I 119.1
H-0 SYMMETRIC STRETCH FREQUENCY, M»»E NOS.
I 662.1
H-O-H KNOINC FREQUENCY, MATE M S .
(1963.1
HE»T OF DISSOCIATION AT 298 « TO BIG) CNO
(299)19.1
2(041 ( 6 1 1 CAL/HOL
REFERENCE FOR F*lE ENERGY FUNCTIONS FOR GASEOUS ELEMENT
REFERENCE FOR F*£E ENERGY DF F0BH1TI0N OF GASEOUS ELEMENT
EST
EST
HCNATONIC GAS
CP.
T K GIBBS/HOL
299.
511.
1010.
1510.
MM.
2500.
SMI.
13.765
16.18*
21. .91
22.225
23.150
2k.17*
2t.62*
GIB3S/10L
Giees/xoL
H-K296,
CAL/HOL
FREE ENERGY OF
FMWTION,
CAL/HOL
eises/M*.
77.356
85.075
97.6*1
106.231
112.839
114.126
122.576
77.356
7O.0S8
•5.*31
91.105
45.666
99.6*3
113.185
1.
313*.
12211.
22B39.
3*216.
*62I7.
58*15.
-43*62.
•96913.
-86658.
-76928.
-66776.
-56SB*.
-*«78.
(**.6*2I
1*5.2691
1*7.2651
(*9.lt9l
(5B.*T2>
(51.7191
(52.7991
A
-(G-H29SJ/T
-105-
(G-H29SI/T,
FREE ENERGY OF
FORNATXGN,
CAL/NOL
(
(
(
(
(
(
(
19MII.I
1519M.I
135118.1
119118.1
1I3III.I
87III.I
73III.I
Table S. Constants used in applying Badger's role.
Element
C
BjC jogen to fluorine
Sodium to chlorine
Potassium to bromine
Rubidium to iodine
Cesium to astatine
Francium to 104
a
H
0.18617
0.15659
0.12500
0.11765
0.11765
0.11765
d
M
0.68
0.94
1.06
1.18
1.26
1.30
Tbe rule has the form
1
I
^ij
where • is the vibrational frequency, c is the velocity
of light, fi is the reduced mass, X i s the internuclear
distance, and C.- and d.. are the constants.
106'
Table 6. Free energies of formation (in cal/g-atom of M) of various gaseous hydrox­
ides other than the gaseous mono- and dihydroxides covered elsewhere in
this report. The known value* are taken from the indicated references, and
the estimated values are enclosed in parentheses.
Hydroxide
Li (OE?
BOOH
B(OH)
B (OH)
B (OH)
NOOH
NOjOH
N«2(OH)
NaK(OH)
AlOOH
SO (OH)
K2<OH)
V(XOH)
Cr0 (OH)
Rb (OH)
Mo0 (OH)
TeO(OH)
Cs (OH)
W0 (OH)
ReOjOH
2
2
3
2
4
3
3
2
2
a
2
2
3
2
3
2
2
2
2
2
2
2
2
2
Free energy of formation at i temperature of:
15WK
SOW
1B&W
HHWK -T5TOTT
Reference
-62991
-117575
-154212
-91436
-123315
24708
41791
-37078
(-40826)
-88886
-80859
•39735
(-147916)
(-104100)
(-43042)
-128292
(-52715)
-41180
-138783
(-91832)
7
7
7
7
7
7
7
7
76
7
7
7
77
78
4
7
78
7
7
80
-83020
-129459
-211166
-133339
-161756
-4252
-7737
-64303
-69429
-104485
-142636
-68544
(-221565)
-155000
(-65881)
-177825
(-84125)
-72948
-189997
-136292
-73242
-123795
-183011
-112362
-142404
10296
17198
-54068
(-59009)
-97595
-104315
-58851
-183424
(-127900)
(-54280)
-152675
-63750
-61020
-163952
(-114062)
107
-44871
-111051
-125217
-70682
-104512
3893S
66006
-16721
(-20452)
-79840
-18137
-19884
(-132280)
(-79500)
(-316S3)
-104378
(-30560)
-21503
-114200
(-68602)
-23921
-104176
•95982
-49945
-85690
53005
89923
-3487
(-80)
-70555
24004
-177
(-86288)
(-94700)
(-30204)
-80640
(-8408)
-1957
-89951
(-47372)
Table T. Equilibrium constant* for the reaction* between the gaseoo* hydroxidea. the
corresponding condensed oxide*, and 1 atm each of water vapor and oxygen
atSOO*K.
..
coHCENSca
cxioc
HiX
F « £ EMETOT OF
Fo*anoN or
OXIOE «ox,
C4L/C ATCH H
KY040XIQE
REf. SPECIES
FREE ENERGY OF
FORMTIGK QF
HYDROXIDE.
C»L/6 *TOM It
EOUILXCRIUH
CONSTaMT,
K
1106.500 tSI
-t%0«7.
r
LIOH
L13(CHI2
-59191.
-77298.
2.610BF-1*
7.349*E-*6
8EO1.003 t S I
-133E15.
7
BEOH
BECOHJ2
-27772.
-1«.37*B.
1.9653E-59
3.*971E-19
OH.500 (SI
-1261*3.
7
BOH
*<OM»2
HOtOHl
BlOW 3
eSIOHlfc
93(01113
-86*5.
-19*209.
-129*59.
-211166.
-133339.
-161756.
6.*695E-69
1.5596E-37
*.3171E-1S
2.99V0E-02
3.1200-107
7.1021-1*3
NaOl.JOO I S )
-*0*07.
7
MOM
•fJ7(0tt>2
-%79*S*
-6*3*3.
2.2633E-12
0.0A19E-3B
HGDI.JOO i s >
-131759.
7
M60H
HC(0H)2
-55900.
-120332.
2.7732E-*5
1.1291E-2*
•101.503 tai
-iei**5.
7
•LOM
At. (OH) 2
•UHOH)
-*5725.
-1*1*16.
1.7166E-71
6.9-77E-*!
B.2M«E-*6
SX-1I.3S* tQl
-19S0B0.
7
SIOH
St(OH)2
5320.
-1417*0.
*.4*25-lc0
9.6196E-65
PQ2.503 ISt
-1*916*.
7
»QH
»(QHI2
-7517.
-41752.
*.*Pl9f-7*
*.S«0SE-53
SAO.10: IL>
0.
251.
-6242S.
-142636.
».SQ10E-12
2.»7«or»j9
SOM
S(0HI2
S02I0H12
K32.009 IS>
-53*It.
7
•COM
K2(OH>2
-567*0.
-»45**.
2.ia6if-™»
2.773SE-J7
C041.080 tS»
-13414fc.
7
P*QH
e*(OH>2
-55211.
-131557.
T.12m-*9
5.9*77E-27
SCO1.5B0 ( S I
-210225.
29
SCOM
SC(0H)2
-ie*>79«
-131«*.
S.5751E-9&
6.0**7E-5*
VIO2.0S0 (Rl
-203692.
7
TZQH
TII0HJ2
(121.
-5939*.
7.66*7-1C*
3.3**6E-69
0 3 2 . 5 0 * CSI
-160190.
22
VQH
«(0HI2
VOfOHIS
22*12.
-4*110.
-221565.
6.5"»5iE-9?
0.935*1-57
3.79<HF-C0
•108-
CONDENSED
OXIDE
WK
FREE ENERGY OF
FORMATION OF
OXIDE M X .
CAL/G ATOM H
HYDROXIDE
REF. S P E C I E S
CRO1.580 IS)
-128158.
22,25
HH02.8SI f S l
-182688.
22
FE01.5BS CS1
-823*8.
GOOl.333 IS1
CROH
CR(0H)2
CR02fOM>2
FREE ENERGY OF
FORMATION OF
HYDROXIDE,
CAL/G ATOM if
EQUILIBRIUM
CONSTANT*
K
171*3.
-68718.
-155688.
3.5251E-72
1.3578E-69
Z.Z166E-86
MNQH
HNIOM)2
-2972.
-9*668.
1.6237E-55
*.*386E-27
7
FEOH
FEIOHI2
22562.
-69622.
5.383*E-58
3.5661E-Z9
-57823.
7
COOH
C0I0H)2
26796.
-53853.
*.9**3E-59
Z.3776E-Z5
NI01.868 (SI
-**1B8.
22
NIOH
HItOHIZ
26953.
-52276.
5.6**6E-*5
6.6962E-Z1
CUO1.0M (S)
-2628*.
7
CUOH
CUI0H)2
7731.
-356*5.
S.E973C-Z7
1.7377E-19
ZN01.B83 CS1
-71388.
22
ZNOH
ZNI0H)2
-27696.
-6783*.
3.1526E-31
2.1685E-16
6 * 0 1 . 5 8 9 IS)
-111879.
26
GAOH
6AI0HI2
-29*65.
-959*6.
7.65B9C-68
3.1376E-38
6E02.888 IS)
-187368.
26
6C0H
6E(0H)2
6898.
-673*1.
1.23Z7E-62
*.16t9E-*l
AS02.5BO IS)
-88758.
68
ASOH
Ascomz
-6116.
-72*56.
8.6Z68E-6S
3.8766E-Z7
SE02.888 IS)
-32588.
68
SEOH
SE«OH)Z
-11**6.
-*1Z33.
2.2593E-21
6.5166E-Z6
RR02.BB8 IS)
-*56B6.
66
RBOH
RS2(OH)2
-5*827.
-65Z68.
3.1792E-S6
2.851ZE-3*
SR02.669 IS)
-133886.
68
SRON
SRI OH) 2
-57359.
-13*238.
3.1226E-65
*.*792E-23
Y01.589 IS)
-216655.
29
YO*l
TI0HI2
-11639.
-121*66.
6.77*9E-99
2.3286E-62
ZRCZ.88B IS)
-239221.
7
ZROH
ZRIQtUZ
2*626.
-69999.
1.7836-127
7.7592E-89
NB02.5H IS)
-268*9*.
25
NBOH
NBIOHIZ
61993.
-75*66.
7**636-127
3.8118E-78
H003.8M IS)
-1*736*.
7
6*9*6.
-35199.
-177825.
l.*2**-16*
1.2216E-72
2*6772E-18
TC03.580 I S )
-97256.
66
7212*.
-7587.
3.3*9BE-66
8.3658E-63
NOON
*OtOH)2
N00Z$3H)2
TCOH
TCfOH)2
-109-
CONDENSED
OXIDE
HOX
FREE ENERGY OF
FORMATION OF
OXIDE HOX,
CAL/G ATOM H
I.TtWOXIOE
REF.
SPECIES
FREE ENERGY OF
FORMATION OF
HYDROXIDE*
C A L / 6 ATOM N
EQUILIBRIUM
CONSTANT,
K
RU02.000 f S l
-50600.
69
RUOH
RU(0HI2
711%*.
536%.
2.205BE-65
%.3981E-*8
RH01.5M ( S I
-18750.
68
RHOH
RHC0HI2
56117.
-527%.
6.8036E-%5
1.6723E-29
PD01.000 CS1
-12700.
SB
POOH
PDC0H12
13*61.
-6287.
1.2976E-23
l.*112E-Z5
fcGOO.OM I S )
0.
A60H
AG(0HI2
5216.
-3%98.
1.8932E-1*
*.3937E-22
C001.8M (SI
-50*00.
66
COOH
C0C0KI2
-11262.
-77338.
2.8177F-29
7.7202E-12
IN01.59B ( S )
-93315.
26
INOH
IHCOHI2
-20576.
-93%96.
5.8082E-**
1.5577E-23
(SI
-11*500.
68
SNOH
SMC0HJ2
-2777.
-82631.
5.2927E-61
1.526SE-37
SB02.5M ( S t
-a*250.
66
SBOH
SBCOHIZ
-7239.
-7%%2B.
1.0513E-*6
B.B359E-29
TE02.M8 ( S I
-55900.
68
TEOH
TE(0HI2
TE0(0H)2
-1%586.
-6%772.
-61.125.
3.1522E-30
9.802*E-20
2.6207E-U
CS02.BB0 ( S I
-%2156.
26
CSOH
CS2C0HI2
-6270%.
-729%a.
3.*515E-03
l.*C06E-28
BA02.tOa ( S I
-131000.
22
BAOH
BACOHI2
-6*982.
-1%2%71.
*.63UE-*1
1.3%Q3E-18
LA01.5H ( S I
-196935.
29
LAOH
LA (OH) 2
-19193.
-1%1968.
7.3606E-90
1.22*0E-*7
CE02.aU (SI
-23*176.
29
CEOH
CEI0HI2
-20359.
-117B11.
1.2636-105
1.79ME-7*
PRoz.aaa t s i
-zoasoo.
68
PROH
PRUMI2
-30539.
-1235*5.
5.9091E-90
9.5523E-61
moi.saa
(si
-190*95.
29
NDOH
ND(0H>2
-36031.
-1229*8.
3.50S*E-83
1.2377E-56
PH31.5W ( S I
-197000.
EST
PHOH
PHC0HI2
-58792.
-13%6B9.
*.*728E-76
6.9606E-51
smi.saa
(si
-199355.
29
SHOH
SN(0HI2
-52*56.
-1*635*.
2.239*E-76
8.9399E-*7
EU01.5U (SJ
-1773tO.
29
EUOH
EUC0H12
-55331.
-155*06.
1.299*6-65
3.*962E-33
SH02.au
-HO-
CONOENSEO
OXIDE
KOX
F R E E ENERGY OF
FORMATION OF
O X I D E MOX,
C f t L / G ATOM H
REF.
HYDROXIDE
SPECIES
FREE ENERGY OF
FORMATION OF
HYORSXIQEf
CAL/C ATOM H
EQUILIBRIUM
CONSTANT,
K
GD01.50D I S !
-199B50.
29
GOOH
GO(OH)2
-21210.
-116017.
2.9B19E-98
2.9558E-6B
TB01.B17 (SI
-208600.
29
TBOH
TB(OHJ2
-2416*.
-Uii975.
B.7306E-93
1.551BE-64
DY01.50D IS)
-205150.
29
DYOH
DY(0H>2
-33943.
-117656.
5.2894E-87
7.4245E-62
H001.50D t S l
-206950.
29
HOOH
HO (OH) 2
-30771.
-116316.
3.551SE-69
3.14S3E-E3
ERO1.500 (SI
-208920.
29
EROH
ER(OH)2
-2778*.
-113195.
2.2321E-91
1.6749E-65
THO1.500 (S)
-207700.
29
THQH
THC0HI2
-42360.
-117783.
1.9405E-84
5.9773E-63
YBO1.50Q (S)
-199395.
29
YBOH
YB(0HI2
-56596.
-i2M63.
1.3845E-74
2.473BE-5B
LUO1.500 (SI
-206500.
29
LUOH
LU(OH)2
-note.
-101281.
1.3375t-97
1.3272E-69
HFO2.000 (S)
-243395.
25
HFOH
HFCOH12
109R4.
-115119.
2.3433-123
1.3569E-79
TAOZ.500 (S>
-217434.
25
TAOH
TA(0H>2
68011.
-66930.
1.9393-133
8.6274E-SB
HO3.Q00 (S)
-170001.
7
NOH
M(OH)2
H02(OH)2
89211.
-2091%.
-189997.
1.B09B-1ZS
8.6S74E-89
7.1371E-15
RE03.000 (L>
-116500.
22
REOH
RE(OH)2
RE03(0H)
87813.
-65S0.
-136292.
1.7922-181
1.1351E-71
1.6130E-C3
OS04.903 (SI
-57700.
70
OSOH
OS(OH)2
96128.
13595.
2.0873E-79
6.9351E-55
IRO2.000 (SI
-29515.
26
IROH
IR(0H)2
619S5.
11257.
6.6238E-61
1.9599E-41
PTO2.0Q3 (S)
-12975.
26
PTOH
PT(OH)2
6B613.
11884.
7.8565E-4B
1.7685E-34
AUOe.009 (SI
0.
AUOH
AU(OH)2
28333.
-9888.
1.4B98E-24
2.5176E-19
HGO1.C0D (SI
-8815.
7
H60H
H6(0H)2
2783.
-61662..
3.6724E-17
1.6295E»et
TLO1.50D (SI
-25500.
26
TLOH
TL(0H)2
-19285.
-73198.
6.3859F-15
9.1558E-83
-111-
COUCENSEDI
OXIDE
tax
FORHATI0N OF
OXIDE COX,
CAL/G ATOM M
REF.
HYDROXIDE
SPECIES
FORHATION OF
HYOROXXDE,
CAL/G ATOM H
EOUILieRIUH
CONSTANT,
K
P9Q1.333 fSI
-*2788.
7
«»BOH
FB(0HI2
-1253*.
-727*6.
2.1529E-2S
1.6139E-10
BIO1.50D CS)
-529 00.
22
BIOH
BK0HI2
-10335.
-63*13.
6.9527E-31
5.1120E-19
P002.QOO (SI
-38*75.
26
POOH
P0(0H12
-2087*.
-H6591.
7.3022E-20
*.57«l£-20
ATO0.000 (SI
0.
ATQh
-267*9.
1.7736EM10
FR00.5QO ( S !
-53*95.
71
FROH
-62011.
1.9007E-08
RAOi.000 (SI
-118159.
26
RAOH
RAC0HI2
-63873.
-171682.
6.7*l*E-36
3.2?13E»00
ACQ 1.500 (SI
-208250.
26
ACOH
ACC0H12
-11206.
-1361*3.
2.6996E-98
3.9*68E-55
THG2.000 IS)
-270150.
22
7H0H
TH(0H|2
205*1.
-72881.
3.1*89-139
7.7360-110
PA02.009 (S)
-22**01.
26
PAOH
PA(0H}2
1*026.
-79632.
2.1985-116
6.6562E-87
U93.000 (SI
-260000.
68
UOH
U(0HI2
1*160.
-75952.
5.1839-132
*.6*95-10*
HPO2.500 (SI
-2269*9.
26
NPOH
NP(0H>2
-7826.
-65232.
6.0235-108
l.*793E-85
PU02.Q80 (SI
-231*75.
29.72
PUOH
PU(0HI2
-17605.
-88712.
1.1911-105
5.1626E-86
AWU-QOO (SI
•219*25.
26
AHOH
AN(0H)2
-351*7.
-1127*5.
1.0238E-92
3.0516E-70
CHO1.50D (SI
-20*C00.
EST
CHOH
CH(0HI2
-25017.
-111969.
2.U26E-90
7.71*8E-6*
BKO1.500 (SI
-20*830.
EST
BKOH
8K(0H»2
-20650.
-105210.
2.60*7E-92
8.5720E-67
CF01.5BS (SI
-20*088.
EST
CFOH
CF(0H)2
-26121.
-102786.
*.7999E-S9
7.*7«*E-68
ESO1.580 (SI
-2fa*0 8 8 .
EST
ESOH
ES10HI2
-317*1.
-108*81.
1.S361E-87
2.3P50E-65
FH01.5BO IS)
-2u*aao.
EST
FHOH
FHC0HI2
-3168*.
-115136.
1.7323E-67
1.869*E-62
H0O1.5B9 (SI
•2C*000.
EST
HOOH
MO(OH)2
•**«56.
-121616.
9.92S5E-8?
1.5577E-59
112-
CONOENSEO
OXIDE
HOX
FREE ENERGY OF
FORMATION OF
OXIDE M X ,
CAL/G ATOM H
HYDROXIDE
REF. SPECIES
FREE ENERGY OF
FORMATION OF
HYDROXIDE,
CAL/G ATOM H
EQUILIBRIUM
CONSTANT,
K
HOO1.500 I S )
-20*800.
EST
NOOH
HOCOH)2
-61303.
-126*53.
1.53I6E-7*
1.2369E-56
LM01.5QS ISI
-20*098.
EST
L«OH
LHCOH12
-1*226.
-91766.
fc«55?5£-9S
*.16BSE-73
0*02.000
-2*7500.
EST
0*OH
8*(OHI2
3052*.
-96013.
l.tB3*-133
7.9367E-90
CS)
-113-
Table 8.
Equilibrium constants for the reactions between the g a s e o u s hydroxides, the
corresponding condensed o x i d e s , and 1 atm e a c h of w a t e r vapor and oxygen
at 1000'K.
COHCENSzO
OXIDE
HOX
FREE ENERGY OF
FORHATICN OF
OXIOE fOX,
CAL/G ATOH H
HYDROXIDE
RTF.
SPECIES
FREE ENERGY OF
FORMATION OF
HYDROXIDE,
CAL/G ATOH H
EQUILIBRIUM
CONSTANT,
K
LIO0.S00
CS1
-557*6.
7
LIOH
LI2(0H>2
-57906.
-67*97.
2.7731E-05
2.1176E-20
BEO1.000
(SI
-121900.
7
9E0H
BE(OHJ2
-29967.
-129922.
7.5*17E-26
*.9135E-09
801.500
CLI
-121742.
7
BOH
B(0HI2
8 0 (OH)
B(OH13
B2(0HI*
B3(0H1?
-11056.
-9253it.
-123795.
-183311.
-112362.
-l-»2*0*.
6.0117E-30
3.5877E-17
2.6167E-05
1.9629E-02
1.6600E-*9
1.6232E-E*
NAO1.000
(LI
-35601.
7
NAOH
NA2(OH>2
-*7233.
-5*06*.
3.2*S3E-03
1.5616E-1*
HG01.009
(SI
-117790.
7
MGOH
HG(QH12
-57129.
-Ilii361.
*.9235E-19
1.33**E-11
AL01.50C
(Al
-162650.
7
ALOH
AL(0H)2
ALO(0H>
-*7366.
-128667.
-97595.
5.9*S3E-?t
3.27S9E-19
5.6*37E-20
SI02.000
(Q)
-17*561.
7
SIOH
SKOHI2
676.
-88531*.
*.6*16E-**
1.3?20E-29
K02.0DD
CSI
-3<i616.
7
KOH
K2(0H12
-55*56.
-58951.
*.3*92E-01
*.9122E-13
CAC1.000
(S>
-126967,
7
CAOH
CA(OHl?
- 5 7 3 1 <i.
-118771.
5.6C77E-21
l.*399E-12
SCO1.500
(St
-192875.
29
SCOH
SC(0H)2
-20991.
-121051.
2.*l*lE-*3
1.7*26E-26
TIO2.003
(R>
-1B2P80.
7
TIOH
TK0HJ2
1152.
-89156.
4.*9**E-%6
*.26*7E-31
VO2.50D
(LI
-135700.
22
VOH
VCOHI2
«0(OK)3
13886.
-73389.
-183*2*.
1.5310E-39
2.0<*0*E-2*
2.1732E-05
CRO1.500
(SI
-10*725.
22,25
CROH
CR(0H)2
CR02(0HI2
11307.
-H8579.
-127900.
*.0B00E-31
*.6"512E-23
1.Q06SE-05
HN01.333 ( S I
-82*50.
22
-7650.
-83208.
*.1861E-22
1.2698E-10
HNOH
HH(OH12
114-
COHOENSEO
OklOE
KOX
FREE ENERGY OF
FORMATION OF
OXIDE MOX,
CAL/G ATOM H
HYDROXIDE
RFF. SPECIES
FREE ENERGY OF
FORMATION OF
HVOROXIOE,
CAL/C ATOH H
EQUILIBRIUM
CONSTANT,
K
FEO1.5C0 f S l
-67141.
7
FEOH
FE(0H12
16845.
-5Q4G8.
4.B324E-24
1.7352E-12
CO01.333
(SI
-42156.
7
COOH
CO(OHJ 2
24756.
-435B7.
2.2165E-28
1.7119E-18
NIO1.002
(S)
-35790.
22
NIOH
NK0HI2
24S3B.
-41978.
5.5008E-19
2.B348E-89
cuoi.ooa
CS)
-15923.
7
CUOH
CUCOH)2
5627.
-24766.
1.8175E-18
7.4Z71E-89
ZNO1.00D ( S )
-59P0O.
2?
ZNOH
ZN(QHI2
-29543.
-73441.
3.3984E-12
1.2419E-87
GA01.500
CSI
- 9 0 6 36.
26
GAOH
GA(OH12
-296i»6.
-83488.
4.3649E-19
2.3764E-12
GE12.000
(SI
-84370.
26
GEOH
GE(OH>2
3483.
-56627.
5.S774E-25
7.4991E-17
ASO2.S03
(SI
-45475.
68
ASOH
AS(OH)2
-13983.
-6571%.
1.221BE-12
2.2979E-06
RBQ2.003 ( L )
-29500.
68
RBOH
RB2(OH)2
•52258.
-51.280.
B.7664E-01
8.0651E-12
SROl.Qtt!
(SI
-118130.
66
SROH
SR(OHI2
-59389.
-123019.
1.3740E-18
1.0306E-89
YO1.503
(S)
-192990.
2«>
YOH
Y(0H)2
-13567.
•111698.
5.7130E-45
1.4861E-2B
ZRU2.3DH ( S I
-21679S.
7
ZROH
ZR(OHI2
19981.
-80559.
1.6669E-57
1.4574E-4D
• n o a . 5 OP ( S I
-17i»791.
2?
NBOH
NB(OH)2
58328.
-65610.
1.0517E-56
1.1942E-34
HOQ3.00D
(S)
-118 C 48.
7
57708.
-24926.
-152675.
3.6163E-44
3.8620E-31
3.2043E-03
TC13.000
(LI
-61.500.
68,73
TCOH
TC(OH)2
66183.
2604.
2.5636E-34
1.S740E-25
Ruoe.aac
(S)
-30700.
69
RUOH
KU(OH)2
64116.
14438.
1.76BSE-26
1.1840E-20
RH0C.50U ( S I
-6250.
63
RHOH
RH(OH12
50529.
4222.
3.6333E-18
4.462BE-13
POOL 000 ( S )
-2930.
68
POOH
PO<OH»2
9J24.
2123.
2.3072E-98
6.9234E-12
HOOH
KKOHI2
H002(OHI2
-115-
CONDENSE
OXIOE
HOX
FREE ENERGY OF
FORMATION OF
OXIOE HUX,
CAL/G ATOM H
AGO0.000 I S !
0.
COO1.000 CS1
-37700.
INO1.500 CS)
REF.
HYDROXIDE
SPECIES
FREE ENERGY OF
FORNATION OF
HYOROXIOEt
CAL/G ATOM H
EQUILIBRIUM
CONSTANT,
K
AGOH
AG(OHI2
3658.
7705.
1.47B7E-06
1.7970E-12
68
COOH
C0(0H)2
-11946.
-62506.
2.1905E-11
2.2879E-05
-74720.
26
INOH
IN(OHI2
-21105.
-81942.
1.7?51E-17
3.2841E-09
SNO2.O00 CSt
-89150.
68
SNOH
SN(OH)Z
-4110.
-68368.
2.4209E-24
2.4905E-15
SB02.167 CS1
-60600.
68
SBOH
SB(QH)2
-9774.
-634BS-.
7.2647E-17
3.708BE-10
TEO2.0O0 CSI
-33800.
6B
TEOH
TE(0H)2
TEO(OH12
-17083.
-51642.
-63750.
2.0681E-09
6.8761E-07
3.0451E-04
CSOC.500 (LI
-18750.
68
CSOH
CS2(OHI2
-60479.
-61020.
1.2269E»04
1.1977E-05
BAO1.000 (SI
-116000.
74
BAOH
BA(OH)2
-66591.
-132072.
1.4B22E-16
2.B21BE-07
LA01.50D (S)
-180310.
29
LAOH
LA(0HI2
-22111.
-131364.
2.i»946E-40
1.7426E-21
CEO2.QQ0 (SI
-209010.
29
CEOH
CE(OHI2
-20990.
-105853.
7.5519E-47
2.4749E-33
PRO2.000 (SI
-137000.
68
PROH
PR(OHJ 2
-31057.
-109964.
7.7338E-40
1.2653E-27
NOO1.500 (SI
-161610.
29
NOOH
ND(0HI2
-37810.
-110477.
3.4850E-37
2.4677E-26
PHOI.500
-iBoaao.
EST
PHOH
PH(0HI2
-47343.
-117742.
9.4922E-35
2.1472E-24
SHO1.500 (SI
-1G2190.
2"*
SHOH
SH(0HI2
-52103.
-130618.
3.4592E-34
4.6475E-22
EU01.500 (SI
-1598 00.
29
EUOH
EU(OHI2
-55427.
-140809.
1.44UE-2B
6.1343E-15
6 0 0 1 . 5 0 0 (SI
-183150.
29
GDOH
GD(OHI2
-21009.
-103562.
3.4179E-41
3.5038E-2B
T0O1.5OO (SI
-188600.
29
TBOH
TB(OHI2
-25049.
-101548.
1.6813E-41
8.1893E-30
DY01.5DO (SI
-188000.
29
DYOH
DY(OHI2
-36636.
-105B76.
7.7467E-39
9.7769E-29
(Si
-116-
CONDENSED
OXIOE
HOX
FREE ENERGY OF
FORMATION OF
OXIOE HOX,
CAL/G ATOM M
REF.
HYOROXIOE
SPECIES
FREE ENERGY OF
FORMATION OF
HYOROXICE,
CAL/G ATOM H
EQUILIBRIUM
CONSTANT,
K
HOO1.500
(S)
-190000.
29
fOOH
HutOH)2
- 3 2 1 1 <i.
-103*50.
2.90B7E-4S
1.555SE-29
ERO1.503
(SI
-191755.
29
EROH
ER(0H)2
-29766.
-100428.
3.6907E-41
9.5285E-31
TMO1.5Q0
(S)
-190750.
29
TMOH
TN(0H)2
-43852.
-104150.
7.3314E-3B
1.0282E-29
YBO1.50*
(S)
-182885.
?9
YBOH
Y8C0HI2
-57960.
-123S35.
4.64B7E-33
1.0792E-23
LU01.500
(S)
-16S230.
29
LUOH
LUt0H)2
-12876.
-39841.
4.4948E-44
2.7686E-32
HFO2.0D3
(S)
-2216<t8.
25
HFOH
HF(OH)2
6039.
-105696.
1.6183E-55
3.956SE-36
TAO2.500
CSJ
-19171(5.
?5
TAOH
TAtOH12
55172.
-55906.
1.0149E-59
1.78Z6E-4Q
H03.300
(S)
-139994.
7
MOH
M0H12
M02(0H)2
83538.
-10716.
-163952.
1.3091E-54
4.S412E-39
1.4930E-05
REOZ.aOO
(S)
- 6 * 9 76.
26
REOH
RE(OH)2
RE03(0H)
81584.
3863.
-114062.
1.4374E-37
1.2946E-25
8.2255E*05
OS'10.000
(S)
0.
OSOH
0SI0H12
88817.
22699.
3.619BE-25
9.4979E-16
IROZ.JOQ
<s>
IROH
IRC OH) 2
75320.
20386.
1.3014E-23
1.2283E-16
PTOO.nflO
(S)
0.
PTOH
PT(OH)Z
63639.
21658.
1.1513E-19
1.6037E-1S
AUOC.UOQ
(S)
0.
BUOH
AUCOH12
25679.
849.
2.2763E-11
5.65B6E-11
TLO1.503
(L)
-6000.
26
TLOH
TL(0HJ2
-19830.
-61729.
9.8067E-03
1.3104E+02
P3O1.003
(Y)
-28170.
7
P80H
PB(OH12
-13997.
-58753.
7.4414E-09
4.1B80E-04
BIOi.500
(S>
-35425.
22
9I0H
BKOHJ2
-11062.
-51812.
4.4111E-U
3.3074E-07
POO2.O00
(L)
-16411.
26
POOH
PO(OH)2
-21429.
-32361.
1.1634E-84
2.6549E-07
RAOl.GCn
(S)
-1&58 78.
26
RAOH
RA-0HJ2
-64728.
-159571.
9.4603E-15
4.7050E*01
-6377.
2&
117-
C0N0ENSZ3
OXIOE
KOX
FREE ENERGY OF
FORMATION OF
OXIOE HOX,
CAL/G ATOM H
REF.
HYDROXIDE
SPECIES
FREE ENERGY OF
FORHATIOH OF
HYDROXIDE,
C A L / G ATOM H
EQUILIBRIUM
CONSTANT,
K
ACC1.500 ( S I
-194178.
26
ACOH
AC (OH) 2
-13113.
-12793%.
2.5003E-45
1.S372E-25
THCc.QOO ( S )
'21*1*500.
22
THOH
TH(0H12
15680.
-6<t214.
1.2819E-E2
3.4466E-50
PAO2.00Q <S>
-200999.
26
PAOH
PA(OH)2
12581.
-69590.
1.8727E-52
1.6651E-39
U02.667 ( S )
-230500.
26,68
U04
U(OH)Z
9132.
-67982.
3.9664E-58
2.6339E-46
NPO2.003 ( S I
-198386.
26
NFOH
NP(0H)2
-7256.
-71875.
1.5793E-47
1.9487E-38
PUO2.0C0 ( S )
-211350.
29,72
PUOH
PU(0H)2
-19079.
-75100.
9.8939E-48
1.4500E-40
AHO2.000 (S»
-197459.
?6
AHOH
AH(0H12
-3<»l»00.
-9840b.
2.1535E-41
1.9503E-3Z
CHOI,500 ( S )
-187000.
EST
CHOH
CH(OH)2
-2«.701.
-98621.
1.1S64E-41
4.2002E-30
BK01.500 ( S )
-167000.
EST
BKOH
OK (OK) 2
-221.85.
-94657.
1.0353E-41
3.7150E-31
CFO1.500 (SI
-187000.
FST
CFOH
CF'.OH)2
-30776.
-92138.
6.7145E-40
1.6089E-31
ES01.500 (S)
-1870 00.
EST
ESOH
ES(OH)2
-36315.
-98422.
9.3755E-39
3.7995E-30
FHO1.500 ( S )
-1870 00.
TST
FHOH
FH(OH>2
-3l»892.
-103613.
5.3265E-39
5.1789E-29
MQO1.500 (S)
-187000.
EST
HOOH
HO (OH) 2
->«7249.
-109851.
2.6732E-36
1.1957E-27
N001.500 (S)
-1870 00.
EST
NOOH
N0(0H>2
-65139.
-115982.
2.1718E-32
2.61 WE-26
LH01.503 ( S )
-187G30.
EST
LHOH
LH(0H)2
-17332.
-30305.
9.95<I2E-<I3
OdO2.00Q 1S>
-2270 00.
EST
01»OH
0MOHI2
25654.
-86658.
5.6572E-61
1.8487E-41
-118-
4.1730E-34
Table 9. Equilibrium constant* for the reactions between the gaseous hydroxides, the
corresponding condensed oxides, and 1 atm each of water vapor and oxygen
atl500*K.
COUCEHSsO
OXIDE
ROX
FREE ENERGY OF
FORMATION OF
OXIDE TOX,
CAl/G ATOM K
HYDROXIDE
REF. SPECIES
FREE ENERGY OF
FORMATION OF
HYDROXIDE,
CAL/G ATOH H
EQUILIBRIUM
CONSTANT,
K
LIO0.50Q IS)
-•.7691.
7
LIOH
L12 (OH) 2
-56126.
-57245.
Z.3243E-82
5.2244E-12
BEO1.000 IS)
-110450.
7
BEOH
BE10HI2
-31691.
-115366.
4.5956E-15
9.7914E-06
801.500 a t
-1C9015.
7
BOH
etOH>2
BOCOH)
BtOH)3
B2C0HI4
B3COH13
-13148.
-80314.
-117575.
-154212.
-91436.
-123315.
1.4782E-17
1.U99E-10
2.4235E-I2
9.9284E-83
1.2725E-38
5.3566E-39
Naoc.sao
(L)
-20169.
7
NAOH
NA2(0H)2
-39TT2.
-37078.
9.85IZE-81
6.3074E-87
HGOi.oon
(S)
-1H213.
7
KGOH
HbtOHIZ
-54694.
•95358.
2.2962E-1I
Z.648ZE-I7
AL01.503 (A)
-143043.
7
ALOH
ALtOH)Z
ALOtOHl
-47167.
-113463.
-88886.
1.4737E-17
9.2226E-11
1.765IE-11
SIC. 2 . 000 (Q>
-1538M.
7
SIOH
SKOHI2
-3247.
-74732.
1.5SI1E-25
5.5297E-18
KOI.000 (S)
-135 02.
7
KOH
KZtOHIZ
-45550.
-39735.
6.4062E»01
1.3471E-C4
CSQ1.Q00 (S)
-114070.
7
CAOH
CAIOH52
-57894.
-194441.
B.9653E-12
7.4495E-08
SCO1.500 (SI
-175850.
29
SCOH
SC(OH)2
-2?65i.
-109459.
6.5561E-26
3.9957E-16
TI02.000 (R)
-160606.
7
TIOH
TKOHIZ
-2571.
-77970.
1.2943S-46
1.716SE-18
V02.500 <U
-116250.
22
VOH
VC0HI2
V0t0H)3
16288.
-61982.
-147916.
6.7112E-23
2.33ZZE-14
1.0604E-04
CR01.503 (S)
-89375.
22,25
CROH
CRtOHiZ
CR02(OH)2
6556.
-35S84.
-104100.
1.446SE-17
Z.7370E-14
Z.629BE-04
HHQi.333 (S)
-681.33.
22
-10598.
-70233.
5.13B3E-1Z
3.441SE-86
*KQH
HN(0H)2
-119-
FORHAT10N OF
OXIOE HOX.
CAL/6 ATOM H
CONDENSE?
OUOE
HOX
MTOROXIOE
REF. SPECIES
FORMATION OF
HYOROXXOEt
CAL/S ATOM H
EQUILIBRIUM
CONSTANT,
K
FE01.S88 ( S I
-52*36.
7
FEOH
FE(0H12
12998.
-47731.
4.9Z56E-13
3.6623E-87
cooi.aas
(SI
-38698.
T
COOH
C0OHI2
21721.
-32116.
3.1785E-U
3.8363E-B6
NZOJ.008 ( S I
-25558.
22
NIOH
NS(0H!2
21475.
-30849.
1.9316E-18
1.1131E-85
CU08.908 ( S I
-726*.
T
CUOH
CU(QM2
4292.
-13857.
2.6422E-8S
1.3139E-85
ZNO1.088 ( S I
-MI ee.
22
ZNOH
ZN(0HI2
-23384.
-50596.
8.2775E-87
1.1893E-85
GAD1.580 ( S I
-71519.
2ft
6A0M
6ACOHI2
-29*56.
•78697.
1.0293E-89
1.4298E-B6
6 E 0 2 . 0 H (LI
-99358.
76
6E0H
6E(0HI2
1767.
-43258.
1.70S7E-1Z
8.511TE-09
ASO2.B0B U l
-laaia.
66
ASOH
AS(0HIZ
-7581.
-411862.
3.1T14E-85
1.1756E-t2
(LI
•9888.
68
RBOH
RB2(OH'.2
-41765.
-43273.
«.l*71E»ei
9.QC19E-03
SRO1.8B0 (SI
•186668.
6B
SROH
SRI0HI2
•99597.
-110381.
1.9068E-10
S.7714E-B6
7 0 1 . 5 8 0 (SI
-176388.
29
VOH
Y(OH12
-14870.
-131231.
4.iiS39E-27
2.1161E-17
ZRQ2.088 ( S I
-194661.
7
ZROH
ZR(0H12
16656.
-70870.
2.2338E-34
1.3241E-24
N3D2.S89 (SI
-190852.
25
MBOH
HB(0HI2
55561.
-65130.
1.5134E-33
2.7835E-28
MOO3.080 (LI
-95238.
7
52284.
•14033.
•126292.
4.5S8BE-25
2.8183E-1S
1.2472E-81
TC02.698 ( S I
-40030.
68
TCOH
TC(0HI2
6UB2.
13528.
2.4R53E-1S
2.9B97E-14
RUO2.000 (LI
-11708.
69
RUOH
RU(0HI2
5?98».
24186.
9.S984E-14
1.1428E-11
RH00.500 (LI
-0250.
68
RHOH
RH(0H12
47115.
16870.
4.5032E-11
2.06a5E-89
P038.000 (SI
8.
POOH
P0(0HI2
5131.
13195.
2.4537E-84
2.2584E-8B
RBoz.aea
MOOH
H0I0H12
H002C0HJ2
-130-
COHOEHSSO
OXXOE
HOX
FREE ENERGY OF
FORMATION OF
OXIOE "OX,
CJkL/S ATOM N
HYDROXIDE
REF. SPECIES
FREE ENERGY OF
FORMATION OF
HYOROXIOE,
CAL/G ATOH H
EQUILIBRIUM
CONSTANT,
K
A60H
AGC0H)2
3241.
20226.
4.62S6E-04
2.1272E-09
68
CDOH
COIOH)?
-1550.
-36*03.
1.B410E-OS
3.0210E-03
-66200.
26
INOH
INIOH12
-21226.
-70059.
3.0429E-10
6.0673E-B6
SN02.aOO IS)
-64050.
6"
SNOH
SNIOH12
-4631.
-53700.
2.3090E-12
4.4666E-00
SB01.50Q I D
-39510.
60
SEOH
SBI0H)2
-9290.
-49021.
5.4410E-08
6.0009E-05
TE02.000 I D
-14500.
60
TEOH
TECOH)2
TEO|OH)2
-14001.
-34053.
-52715.
1.5590E-03
1.3204E-03
6.95S9E-B1
CSOC.SOO I D
-2500.
68
CSOH
CS2COH>2
-50132.
-41180.
1.1944E*04
3.5145E-01
BAO1.000 IS)
-104300.
74
RAOH
BAI0H)2
•66175.
-119770.
3.0240E-09
3.3760E-04
LAO1.500 IS)
-163530.
It
LAOH
LAI0H>2
-23733.
-119392.
5.0705E-24
6.9790E-13
CEO2.000 IS)
-103560.
29
CEOH
REI0H)2
-20780.
-93110.
2.6346E-27
1.2481E-19
PR01.833 I D
-167997.
?9
PROH
PR 1 OH) 2
-33425.
-90263.
3.3926E-23
1.3016E-16
N0O1.503 IS)
-1645*0.
29
NOOH
HO1OH)2
-37955.
-96370.
4.6704E-22
2.1705E-16
PH01.5Q3 IS)
-162010.
FST
PHOH
PHIOH)2
-43740.
-100697.
0.0973E-21
2.2020E-15
SHJi.540 IS)
-161*700.
29
SHOH
SHIOH)2
-49040.
-112900.
2.5328E-20
5.3307E-14
EU01.50D IS)
-142237.
29
EUOH
EUI0H)2
-54060.
-124339.
1.9505E-16
4.643BE-09
6 0 0 1 . 5 0 0 IS)
-166750.
29
GOOH
GDIOH)2
-20617.
-90965.
7.0171E-25
1.7096E-17
T831.503 IS)
-172550.
29
TBOH
TB10H)2
-25720.
-87927.
5.5533E-25
0.0141E-19
DY01.500 IS)
-171*50.
2«
OYOH
0YI0H>2
-30061.
-93616.
6.5905E-23
0.5962E-18
•GO0.903
ILI
0.
COO1.003 IS)
-14400.
INO1.509 IS)
-121-
CONDENSE!
OXIOE
MOX
FREE ENERGY OF
FORMATION OF
OXIDE KOX,
C A L / 6 ATOM N
HYOROXIOE
REF. SPECIES
FREE EHERGV OF
FORMATION OF
HY040XICE,
CAL/G ATOM 1
EQUILIBRIUM
CONSTANT,
K
HOOl.SOO ( S )
-173588.
2«»
HOOH
HO(0H)2
-32907.
-O0S89.
%.3517E-2%
1.731BE-1B
ER01.500 IS)
-175050.
29
EROH
t£R(QH)2
-31169.
-86916.
l.%93%E-2%
2.7161E-19
TMQ1.585 ( S )
-17%%00.
29
TNOH
TH(0H)2
-%%73%.
-89362.
1.7593E-22
9.06B1E-19
YB01.500 ( S )
-166457.
29
TBOH
YBfOHIZ
-S73B8.
-106913.
1.5%77E-19
3.9736E-15
LUO1.5S0 (S)
-172% 0 6 .
29
LUOH
LU(0H)2
-1%123.
-77617.
1.1935E-26
2.9167F-20
HFO2.DB0 (S)
-200616.
25
HFOH
HF(0H)2
2097.
-95255.
%.0G39E-33
8.3SB8E-22
TA02.50B ( S )
-167185.
25
TAOH
TA(OH)2
51182.
-H5039.
2.8976E-35
3.007%E-2%
N03.000 ( S )
-111*0%.
7
HOH
H(0H>2
N02(OH)2
78665.
16%.
-138783.
2.7«%3E-31
1.0%S7E-22
l.J-»%9E-82
REO2.000 ( L )
-%99Q5.
26
REOH
RE (OH) 2
RE03(OH)
762%9.
15963.
-91832.
5.7135E-22
6.S3B9E-16
1.7616E»03
OSOO-000 ( S )
B.
OSOH
OS(OH)2
82331.
32%68.
1.3869E-1?
3.%7S0E-11
IRO0.0Q0 (S)
0.
IROH
IR(OH)2
6917%.
30253.
1.1%S6E-13
7.3600E-11
PTOO.OQO ( S )
0.
PTOH
PT(OH)2
5920%.
32157.
3.2%77E-i2
3.S860E-U
u>
0.
AUOH
AU(0H)2
238%%.
12%97.
%.6065E-07
2.8%3%E-e9
TLO0.000 ( U
B.
TLOH
TL(0H)2
-1991%.
-%9656.
1.Q575E+0B
3.2311E+01
PB01.003 (L)
-18353
7
PeOH
P8(0H)2
-1%39Z.
-%397B.
3.6323E-0%
1.9186E-I2
BIO1.500 (LI
-20000
22
eiOH
9K0H12
-10619.
-39%38.
5.89%6E-B5
1.2782E-B3
POOB.009 (L)
2925
2%
POOH
PO(0H)2
-16B65.
-1%S73.
1.568%E»0B
6.6669E-0%
RAO1.000 (S)
-93930.
26
RAOH
RA(OH>2
-6%B3B.
-1%6B71.
6.B5%%E-BB
7.%36SE*01
AUOO.000
-122-
CONOENS-3
OXIOE
COX
FREE ENERGY OF
FORMATION OF
OXIDE S O X ,
CAL/G A TON n
FREE ENERGY O F
FORMATION OF
REF.
tfZ-'.OXlX
S^SC.cS
Hvoaoxxoc*
CAL/G ATOM N
EQUILIBRIUM
CONSTANT*
R
AC01.500 CS1
-17SBS8.
26
ACOH
*C(0H12
-16137.
-117138.
1.763BE-27
2.6856E-15
THO2.000 IS1
-225000.
22
THOH
THCOH12
12215.
-56265.
3.7E63E-38
2.6886E-31
PA02.3Q3 ( S )
-189252.
26
PAOH
PA(0H12
9573.
-61363.
3.8222E-31
S.9698E-26
U02;667 (S>
-203708.
26,68
UOH
U(QH>2
6287.
-57496.
3.SB61E-36
1.6769E-27
NPO2.0S0 (S»
-177393.
26
fcPOH
NP(0H)2
-63B3.
-58281.
1.6713E-2C
6.1287E-26
PU02.00D CSl
-191225.
29,7?
PUOH
PU(0HI2
-1B951.
-59871.
1.8699E-28
1.3698E-25
AH12.000 (SI
-1775H3.
26
ANOH
AIK0HI2
-33281.
-83S96.
1.2793E-26
3.86UE-28
CH31.500 (S»
-171038.
EST
CHOH
Cflt0H)2
-m7i.
-85167.
S.fSNE-tf
5.8361E-19
PKO1.503 (S)
-171888.
EST
BK3H
BK(0H)2
-26125.
-86882.
S.6697E*t5
3.9732E-19
CFO1.50O (St
-171818.
EST
CFOH
CF(OH12
-36672.
-82629.
1.76S1E-23
2.6998E-19
ESO1.503 ( S )
-171098.
EST
ESOH
ES(0H)2
-3935ft.
-87682.
9.8596E-23
1.277SE-18
FNO1.508 (S>
-171098.
EST
FHOH
FH(0H>2
-38163.
-92163.
6.B788E-23
6.1688E-16
H301.500 (SI
-171838.
EST
NDOH
NOtOMlZ
-69729.
-97922.
2.9315E-21
6.2397E-17
NOPl.sei] (SI
-171888.
EST
NOOH
K0(0H12
-66857.
•188692.
7.S353E-S9
1.S83BE-16
LMO1.503
3
-171008.
5ST
LHOH
LN(0H12
-21221.
-69669.
2.8665E-25
3.923«E-n
ca2.aaa
tsi
-2116809.
?ST
060H
21*98.
-76828.
9.8I61E-37
2.9679E-25
C6cmi2
-123-
Table 10.
Equilibrium constants for the reactions b e t w e e n the gaseous hydroxides, the
corresponding condensed oxides, and 1 atm e a c h of water vapor and oxygen
at 2000°K.
C0NCENSE3
OXI0E
KOX
FREE ENERGY OF
F0RHATI0N OF
OXIDE HOX,
CAL/G ATOM H
HYQROXIOE
REF.
SPECIES
FREE ENERGY OF
FORMATION OF
HYDfiOXICE,
C K t / G ATGH H
EQUILIBRIUM
CONSTANT,
K
LI00.500
(L)
-32885.
7
LIOH
LI2(0H12
-'.6370.
-39127.
5.Q502E-01
3.5325E-07
BEO1.000
(S)
-98394.
7
BEOH
9EtOH>2
-32253.
-99694.
1.0053E-09
3.9947E-04
BO1.500
(L)
-96636.
7
BOH
BC0HJ2
eO(OH)
B(0H)3
B2C0H14
R3(0HI3
-14964.
-67208.
-111051.
-125217.
-70682.
-104512.
1.9942E-11
1.7311E-07
6.3013E-01
6.4097E-03
3.2523E-21
2.5942E-26
NA00.500
(L>
-6063.
7
NAOH
NAStOHtZ
-28350.
-16721.
5.2450E+00
9.152»E-04
MGO1.000
IS)
-76642.
7
HGOH
HG(UH)2
-43856.
-68269.
4.4366E-06
3.5038E-05
AL01.50D
{A)
-1238 09.
7
ALOH
At. COM2
tLO(CH)
-46569.
-97926.
6.1592E-11
4.2774E-07
?. • l ' i - C "
SIO2.000
ItJ
-131719.
7
- 7 = 11. • .
r
:
SIQH
SI(0H)2
-5«5r9.
?.-.' li.-1 >
*.9-n9F-tZ
-J.i.74.
CSO1.000
(S>
-96446.
7
CAOH
CA(0H)2
-52863.
-84628.
Z.9331E-07
1.4724E-C5
SC01.500
(S)
-158909.
29
SCOH
SCC0HI2
-Z3192.
-96719.
2.5088E-17
4.6106E-11
TIOZ.ODD tRl
-139287.
7
TIOH
TI{0H>2
-5425.
-66234.
4.0P14E-17
2.9977E-12
VT02.500 (L)
-101750.
2?
t/OH
VC0HI2
VO(0H)3
14508.
-50059.
-122260.
3.3562E-15
6.4711E-10
8.5184E-04
CROH
CRC0H12
CR0Z(0H)2
2778.
-21906.
-79500.
7.2060E-11
6.0903E-10
1.197ZE-03
CRO1.500
CS>
-73838.
22,25
HNO1.000
IS)
-55600.
22
KNOH
HN(0H>2
-11077.
-55078.
2.315ZE-07
2.5259E-04
FE01.333
CS)
-38876.
7
FEOH
FE(0H»2
10450.
-35073.
6.9140E-D8
1.1063E-04
-124-
CONDENSED
OXIDE
HOX
FREE ENERGY OF
FORMATION OF
OXIOE HOX,
CAL/G ATOM K
HYOROXIOE
R E F . SPECIES
7
FREE ENERGY OF
FORMATION OF
HYDROXIDE,
CAL/G ATOM H
EQUILIBRIUM
CONSTANT,
K
COOH
C0(0HI2
20060.
-194 *4.
4.4436E-07
l*5755E-04
NIOH
NK0H12
1 9 3 6 . >.
-18600.
1.2985E-04
3.1047E-02
7
CUOH
CU(0H12
4141.
-281.
1.8278E-B3
9.4372E-S5
-28800.
z?
ZNOH
ZN(0H)2
-12189.
-23591.
2.597BE-04
7.7677E-0S
(S)
-54330.
26
GAOH
GA(0H)2
-23059.
-57848.
2.9397E-05
6.9805E-04
GEO2.000
(L)
-38357.
26
GEOH
GE(0H)2
1946.
-28293.
6.6935E-07
2.2691E-B5
ASO2.00D
(L)
-300.
68
ASOH
AS(0H)2
-1091.
-24188*
2.0707E-02
1.1744E-01
RBOl.OOn ( L I
15000.
68
RBOH
RB2(0H>2
-31356.
-32265.
1.9734E*03
1.8337E+03
COC1.000
CLI
-21872.
NIOO.000
CL>
0.
CU00.50D
CD
-4716.
ZNO1.0DD
IS)
GAO1.500
SRO1.S0Q
(S)
-88400.
68
SROH
SRCOHI2
-52481.
-89801.
2.0171E-06
4.0973E-04
YO1.500
IS)
-159440.
?9
YOH
YCOH12
-15740.
•90420.
3.3665E-18
8.2689E-12
ZROZ.O0D ( S )
-173149.
7
ZROH
ZR(0HI2
-6017.
-79236.
9.2614E-21
1.5749E-14
NBC2.500
(L)
-127560.
25
NBOH
NB(OH)2
53323.
-44405.
2.9111E-22
2.3596E-13
HOO3.000 (L»
-74816.
7
47282.
-2842.
-104378.
7.72Z3E-16
3.9320E-12
4.8952E-01
TCO2.000
tSl
-20000.
68
TCOH
T C I OH) 2
56BB5.
24872.
6.7345E-11
3.5938E-09
RUOO.OOO (S>
a.
RUOH
RU(OH12
52315.
34104.
3.2600E-08
S.4065E-08
RHOH
RH(0H>2
42254.
26397.
2.0511E-B7
1.8813E-07
69
HOOH
HO(OH)2
HOO2(0H>2
RHOC.50Q
(L)
-2750
PDO0.000
(LI
0
POOH
PD(0H)2
2076
25030.
1.0070E-02
5.3027E-07
AGO 0 . 0 0 0 <L>
0
AGOH
AGI0H12
3748.
33597.
6.6104E-O3
6.1419E-OB
-125-
CONCENSSO
OXIDE
HOX
FREE ENERGY OF
FORMATION OF
OXIDE COX,
CAL/G AtOH H
HYQROXIOE
REF. SPECIES
FREE ENERGY OF
FORMATION OF
HVOROXICE,
CAL/G ATOM H
EQUILIBRIUM
CONSTANT*
K
3C00.
68
COQH
CD (OH) 2
9710.
-9506.
1.4195E-02
3.0316E-02
CS>
-37960.
2fi
IHOH
IN(0HI2
-21037.
-58027.
2.4013E-04
4.4902E-02
SNO2.000 (Ll
-41950.
68
SNCH
SN(OH)2
-4680.
-38911.
1.4358E-06
1.3410E-04
BKOI.000
(S)
-92961.
71.
BAOH
BA(0HI2
-65076.
-106981*.
1.5227E-05
9.8131E-03
LA01.500
(SI
-147327.
29
LAOH
LA(OH12
-24567.
-106744.
6.5369E-16
1.0588E-08
CEO2.00D (S)
-158210.
29
CEOH
CE(OHI2
-1990B.
-79860.
1.3092E-17
7.9045E-13
PR01.500
(S)
-151791.
29
PROH
PRt OH) 2
-33361.
-84276.
1.9431E-15
1.2074E-11
N001.5P.8 (SI
-148299.
29
NOOH
NO1OH)2
-3657«i.
-30876.
1.0501E-14
1.2357E-11
PHO1.500 (S)
-144000.
EST
PHOH
PMIOHI2
-39475.
-83099.
6.4271E-14
6.3764E-11
SHO1.5O0 (SI
-147821.
29
SHOH
SH(0H)2
-<>5833.
-93540.
1.2182E-13
3.3731E-10
EUO1.50D (S)
-1253i>6.
29
EUOH
EUCOH)2
-49502.
-104776.
8.7502E-11
1.6280E-06
G001.500 (SI
-149750.
29
GOOH
GD(0H)2
-20139.
-78433.
1.1660E-16
4.6391E-12
TB01.500 (SI
-156362.
29
TBOH
T3(0K)2
-26228.
-74286.
1.0172E-16
3.0803E-13
DY01.500 (SI
-154250.
29
OYOH
0Y(QHI2
-38431.
-78334.
3.7485E-15
1.6539E-12
HOO1.500 (SI
-156875.
29
HOOH
H0(0H12
-32074.
-76524.
3.9120E-16
4.7780E-13
ER01.S03 (SI
-158167.
29
EROH
ERC0HI2
-31391.
-72336.
2.3B00E-16
1.2036E- 13
THO1.500 (SI
-158179.
29
THOH
TH(0H)2
-44682.
-74732.
6.7238E-15
2.1927E-13
YB01.500 (SI
-15036*.
29
YBOH
YB(CH)2
-45777.
-79805.
6.3275E-14
5.6132E-12
LU01.5QO (SI
-155758.
29
LUOH
LUCOH)2
-14574.
-64658.
6.3404E-18
3.1964E-14
COOl.000 (LI
IN01.50Q
126-
COMCENSzO
OXIOE
HOX
FREE ENERGY OF
FORMATION OF
OXIDE HOX,
CAL/G ATOM H
HFO2.000 CS)
-180031*.
HYDROXIDE
REF. SPECIES
25
FREE ENERGY OF
FORMATION OF
HYOROXIOE,
CAL/G ATOM H
EQUILIBRIUM
CONSTANT,
K
HFOH
HF(0K)2
-8*3*6.
*.6955E-Z2
9.9517E-15
TAOH
TA{0H)2
«i7701.
-33909.
Z.1532E-23
3.02%6E-16
-1101.
TA02.500 t S )
-1*3522.
25
HO3.00a (L)
-86319.
7
HOH
HCOHI2
H02(OH)2
7i»292.
1129*.
-11*200.
*.7779E-20
6.2066E-1S
3.2069E-01
(L)
-36156.
26
REOH
RE(OH)2
RE03C0H)
7162 <t.
26727.
-69602.
2.8329E-1*
3.8729E-11
7.66*2E+01
OSOC.OOO (S)
0.
OSOH
OS(0H)2
76360.
*2533.
7.6860E-11
6.*83*E-09
IRQ CO 90 (S)
IROH
IRC0H)2
63*38.
*0*77.
1.9B50E-09
1.0878E-08
PTO0.00Q CS)
PTOH
PT(0H)2
55166.
*2986.
1.S903E-08
5.7853E-09
AUO0.300 CD
AUOH
AU(0H)2
230*7.
25107.
5.1*58E-B5
5.2006E-J7
RE02.00S
POOC.600 (L)
13670.
2*
POOH
P0C0HI2
-6675.
10906.
2.B372E+0B
5.7739E-0*
RAMI.Q03 CS)
-76299.
2R
RAOH
RA(0H)2
-59387.
-128796.
2.*089E-8*
1.5706E*02
ACO1.500 IS)
-166291.
26
ACOH
AC(0H)2
-1*576.
-106823.
*.*805E-19
9.1**SE-il
Tri"»2.0flD CS>
-201750.
22
THOH
TH(0H)2
9*33.
-*37S9.
l.*227E-25
1.5677E-21
PA02.00Q (S)
-15673*.
26
PAOH
PA1OH)2
8362.
- 5 1 3 9 It.
1.5266E-20
B.7727E-16
U02.667 IS)
-178290.
26,69
UOH
U(OH)2
<tt08.
-*6*23.
1.6676E-22
1.1220E-1B
NPOS.JQG (S)
-158072.
26
NPOH
NP(0H)2
-51*7.
-**295.
3.3050E-19
1.063*E-16
PU02.UOO IS)
-171100.
29,72
PUOH
PU(0H)2
-1B038.
-43090.
3.1928E-19
3.7130E-18
A102.000 tS)
-15871*.
26
AMOH
AH(0H)2
-31*33.
-68351.
2.0959E-16
3.6*82E-1*
CHOI. 500 (S)
-156030.
EST
CHOH
CH(0H)2
-23550.
-717*6.
5.7079E-17
1.789SE-13
-127-
CONDENSED
OXIDE
HOX
FREE ENERGY OF
FORHATION OF
OXIDE HOX,
CAL/G ATOK H
HYDROXIOE
REF. SPECIES
FREfc ENERGY OF
FORHATION OF
HYOROXIDE,
CAL/G ATOM K
EQUILIBRIUM
CONSTANT,
K
BKO1.500 IS1
-156000.
EST
BKOH
BK(0H)2
-25598.
-733t>6.
9.5557E-17
2.676BE-13
CFO1.500 (S)
-156300.
EST
CFOH
CFC0HJ2
-3«tl«>0.
-69239.
8.1990E-16
9.5232E-14
ESO1.500 (SI
-1560DO.
EST
ESOH
ES(0HI2
-40719.
-7471S.
<t.2915E-15
3.7B09E-13
FH01.500 (S)
-156000.
EST
FHOH
FH(0H>2
-<tb>tt>l.
4.0021E-15
1.3789E-12
HDO1.500 (S)
-156000.
EST
-79B61.
-50254.
HDOH
HD(QH12
-e^iai.
<t.726*>E-l<»
4.0888E-12
(SI
-156000.
EST
NOOH
NO (OHJ2
-57020.
-75153.
2.S935E-13
•>.217BE-13
LMO1.S90 (S)
-156000.
EST
LMOH
LH(0H)2
-2M.53,
-5B542.
7.1653E-17
6.(.SS9E-1S
Ol»O3,000 (SI
-187000.
EST
OtiOH
0«.(OH>2
17860.
-66776.
6.9SI.1E-25
2.0999E-17
N001.50D
-128-
Table 11.
Equilibrium constants for the reactions betweeccrrespondin? -^ndensed oxides, and 1 atm e t
at 2500TC
C0HCENSE3
FREE ENERGY OF
FORKATIQN OF
OXIDE
KOX
OXIDE nox,
CAL/G AT0H H
e gaseous hydroxides, the
•' water vapor and oxygen
FREE ENERGY OF
FORHATIoN OF
HYOROXIOE
REF.
SPECIES
HYDROXIDE,
CAL/G ATOH H
EQUILIBRIUM
CONSTANT.
LIOD.500 CD
-17058.
LIOH
LI2I0HI2
-33689.
-18179.
2.1976E+00
2.4153E-04
BE01.000
(S)
•86557.
BEOH
BE(0H)2
-32477.
~»83.
1.4471E-06
3.4170E-03
HGO1.000
(SI
-52540.
HGOH
HG(0HI2
-33065.
-41359.
1.5332E-03
6.2907E-04
7
ALO1.503 IL>
-106042.
7
ALOH
AL(0H)2
ALOtOH)
-45690.
-82226.
-70555.
4.0947E-07
4.9450E-05
6.1075E-05
SIOZ.900
(L>
-109047.
7
SIOH
SI(OH)2
-4068.
-40925.
5.1609E-11
6.6223E-09
CAO1.003
(S)
-737 39.
7
CAOH
CA(0H)2
-42521.
-59637.
1.4422E-04
3.4948E-04
SC01.50!)
(S)
-142126.
29
SCOH
S<:(0H)2
-22349.
-82706.
2.6145E-12
3.8176E-08
TIO2.000
(L>
-120006.
7
TIOH
TI(0H)2
-677C.
-53261.
9.7547E-12
B.7365E-09
tfOl.qOO (L)
-63100.
2?
VOH
V(0H)2
VO(OH)3
15253.
-35S74.
-86266.
1.0930E-08
2.4694E-0S
4.9125E-02
(S)
-57938.
22,25
CROH
CRIOHIZ
CR02(0H)2
540.
-6944.
-54700.
5.9706E-07_
2.0613E-B7
3.1125E-03
MNO1.000 (L)
-48175.
2?
MNOH
KN(0H)2
-6703.
-35327.
1.8311E-05
4.4975E-04
FEOl.OOO (L)
-29118.
7
FEOH
FE(0H)2
9335.
-21264.
3.3616E-05
1.2291E-83
COO CO 00 (L)
COOH
C0(CH)2
20056.
-5307.
i 3642E-03
1.73B4E-B2
NIO0.OC0 (L)
NIOH
NI(0H)2
18434.
-5310.
lcB9liE-83
1.7397E-02
CUOH
CU'.0H)2
4257.
12630.
1.9856E-02
2.B446E-04
CR01.500
CU00.5CO (L)
-2494.
7
129-
COMOENSED
OXtOE
COX
FREE ENERGY OF
FORHATICN OF
OXIDE HOX,
C A L / 6 ATOM «
HYOROXIOE
REF. SPECIES
FREE ENERGY OF
FORMATION OF
HYDROXIDE,
CAL/G ATOM H
EQUILIBRIUM
CONSTANT,
K
SAQl.SQQ (Ll
-399*3.
26
GAOH
GA(QH»2
-28476.
-44959.
7.6270E-03
1.6Z63E-02
GEO2.OO0 (L)
-18059.
26
GEOH
GE(OH)2
2473.
-13240.
1.2393E-03
2.2641E-03
ASC2.500 (L)
31235.
68
ASOH
AS(OKI 2
5436.
-3726.
1.3912E+01
6.7979EMJ0
(S)
-70OOO.
68
SROH
SR(OHI2
-42334.
-66711.
Z.94S4E-C4
3.0BQSE-03
YO1.500 (SI
-131256.
29
YOH
Y(OHI2
-14966.
-78085.
5.2748E-12
1.342BE-07
ZROZ.000 (S>
-150847.
7
ZROH
ZR(0HI2
12634.
-47343.
3.952ZE-16
5.3460E-12
NB02.500 (L)
-108163.
25
NBOH
NB(0HI2
51531.
-33490.
3.4709E-16
1.7716E-09
HOOZ.000 (SI
-U1663.
7
HOOH
WO(OH)2
H002(OHIZ
42917.
8652.
-80640.
3.1207E-09
2.3863E-07
1.5257E*01
SROi.OOQ
TCOO.OOO
(L>
a.
TCOH
TC(0H12
53275.
36648.
1.7O2OE-06
3.7373E-06
RUO0.000
(S)
0.
RUOH
RUCOHI2
47329.
44454.
5.6326E-Q6
7.7648E-07
RH00.5QD
a>
-1250.
RHOH
KH(0H»2
37984.
37203.
2.8730E-05
2.S990E-06
pooo.ooa a )
0.
POOH
P0(0H)2
105.
37338.
7 . 5 6 7 8 E-02
2.9412E-06
68
INO1.500
(LJ
-20922.
26
INOH
IN(OH)2
-16953.
-42252.
3.4765E-02
4.3729E-01
SN02.000
(LI
-20000.
68
SNOH
SN(0H)2
-4346.
-24026.
3.3093E-03
1.3430E-02
BAO1.000 (L)
-81648.
74
BAOH
BA(0HI2
-57546.
-87934.
5.302SE-04
2.0332E-02
LAO1.S00 (SI
-131062.
29
LAOH
LA(0H12
-25034.
-93858.
4.16Z1E-11
3.3405E-06
CEO2.000 (SI
-132860.
29
TEOH
CE(0H)2
-1854Z.
-66264.
7.S451E-12
9.0034E-09
PRO1.500 (SI
-136056.
?9
PROH
PR(OH)2
-33140.
-70275.
7.7B57E-11
1.0610E-0B
-130-
COfJOENSEO
OXIDE
KOX
FREE ENERGY Or
FORH&TICN OF
OXIDE HOX,
CAL/G ATOh M
HYOROXIDE
R E F . SPECIES
FREE ENERGY OF
FORHATION OF
HYOROXIUE,
CAL/G ATCH H
FQUILIBRJUH
CONSTANT,
K
NDOi.500 (S)
-13191.8.
29
NDOH
HO (OH) 2
-34399.
-64726.
2.2937E-1C
7.9379E-09
PHD1.5QQ (LI
-126000.
EST
PHOH
PH(0H)2
-36156.
-66588.
1.0616E-09
3.8238E-08
SHO1.5D0
(S>
-130753.
?9
SHOW
SH(OH)2
-32853.
-65335.
2.1373E-10
1.1413E-08
EU01.5QQ (S)
-108721.
29
EUOH
EU(OH)2
-38031.
-78*22.
5.1107E-08
1.3411E-05
GDO1.50C (S>
-133336.
29
GDOH
G0C0H12
-19549.
-65937.
8.7302E-12
7.6598E-09
TB01.500
(Si
-11.06 7 0 .
29
TBOH
TB(0H)2
-24978.
-59030.
5.9498E-12
4.3584E-10
OYO1.500 ( S )
-138671.
29
OYOH
0Y(0HJ2
-36819.
-63008.
9.64SVE-11
1.4S14E-09
HOO1.500 (S>
-11.0616.
29
HOOH
HO(OH)2
-30164.
-6111ii.
1.7083E-11
6.7024E-10
ERO1.500 (S)
-141637.
29
EROH
ER(OH)2
-30355.
-56622.
1.4541E-11
2.2230E-10
TH01.500
(SI
-142232.
29
THOH
TH(0H)2
-37685.
-52778.
5.6073E-11
9.0410E-11
Y 301.500
(S>
-134442.
29
YBOH
YB(0H)2
-34645.
-52398.
1.4587E-10
4.4436E-10
LUO1.50B (SI
-139379.
29
LUOH
LU(0H)2
-13302.
-50983.
7.3564E-13
9.3339E-11
HFO2.30] (S>
-16G3S2.
25
HFOH
HF(0H)2
-3349.
-72739.
1.4472E-15
1.3019E-10
TAO2.500 (L)
-123667.
25
TAOH
TA(GH)2
44586.
-22652.
1.5125E-16
8.8226E-12
HO3.103 (L>
-64901.
7
HOH
H(OH)2
H02(OH)2
70310.
22575.
-89951.
1.1699E-13
1.3464E-1Q
9.2469E-01
REO2.000 (L>
-23542.
26
REOH
EE(OH)2
RE03COH)
67493.
3B646.
-47372.
8.5112E-10
2.1B67E-08
9.3597E+00
OSO0.000
(S)
OSOH
OS(OH)2
70805.
52750.
4.9949E-08
1.461BE-07
IRGC.300
(S)
IROH
IR(0H)2
58064.
50958.
6.4907E-07
2.096BE-07
-131-
CONDENSE
OXIOE
MOX
FREE ENERGY OF
FORMATION OF
OXIDE HOX,
CAL/G AT03 H
HYOROXIOE
REF.
SPECIES
FREE ENERGY OF
FORHATION OF
HYDROXIDE,
CAL/G A~OH H
EQUILIBRIUM
CONSTANT,
K
PTOO.000
CD
0.
PTOH
FTC0KI2
52547.
55121.
1.9704E-06
9.07Q5E-08
AUOO.000
CD
0.
AUOH
AU(0H)2
22477.
37832.
8.3804E-04
2.944BE-06
RAO1.000
ISJ
-54694.
26
RAOH
RACOH>2
-49234.
-106179.
2.5804E-Q2
1.8957E*02
ACO1.500
CD
-159185.
26
ACOH
ACC0HI2
-14849.
-96494.
1.8642E-14
1.9763E-08
THO2.00D
CS1
-179650.
22
THOH
TH!0H)2
8310.
-31766.
2.3636E-16
7.0533E-16
PAO2.000
IS)
-133470.
26
PAOH
PAC0H12
8371.
-40351.
3.0502E-14
4.3236E-11
U02.000
(S)
-157590.
68,72
UOH
l)C0H)2
4197.
-34301.
5.5575E-16
9.9647E-14
NPO2.000
CS)
-137730.
26
NPOH
NPCOH)2
-3602.
-30217.
1.454SE-13
2.3B53E-12
PU02.000
(L)
-150975.
29,72
PUOH
PU'.0H)2
-16522.
-27642.
1.362BE-13
9.8770E-14
AHO2.000
(S)
-141162.
26
AHOH
AH(0H)2
-29714.
-53292.
1.3979E-11
1.2437E-10
CHO1.500
fSI
-148000.
EST
CHOH
CHC0HI2
-22682.
-58449.
B.9213E-13
8.S668E-11
BKO1.500
IS)
-HtBODO.
EST
BKOH
BK(OH)2
-25929.
-61702.
1.6477E-12
1.7065E-10
CF01.500
tS)
-148000.
EST
CFOH
CF(OH)2
-33739.
-55940.
7.9358E-12
5.3509E-11
ESO1.500 I S )
-148000.
EST
ESOH
ESI0H)2
-42064.
-62085.
4.2401E-11
1.8434E-10
FN01.500
fS)
-148000.
EST
FHOH
FH(OH)2
-406B7.
-65668.
3.2135E-11
3.7921E-10
HD01.500
CS)
-148000.
EST
HOOH
HOfOH)2
-44788.
-64575.
7.3364E-11
3.0427E-10
NOO1.500 (S)
-1480 00.
EST
NOOH
NO (OH) 2
-48081.
-50038.
1.4234E-10
1.6313E-11
LHO1.50Q CS)
-1480 00.
EST
LHOH
LH(OH)2
-25603.
-45657.
1.5428F-12
6.7527E-12
0 4 0 2 . 0 0 0 (S)
-169500.
EST
040H
04(OH)2
14621.
-56584.
6.2014E-18
8.0396E-13
-132-
Appendix B:
Plots of Bond Energies and Equilibrium Constants
20
40
60
80
100
120
Atomic number of M
Fig. 1. Estimated M-OH bond energy versus the atomic number of M for MOH(g) at
298°K.
40
60
80
Atomic number of M
120
Fig. 2. Sum of the estimated M-OH bond energies versus the atomic number of M for
M(OH) (g) at 298°K.
2
-133-
20
40
60
80
Atomic number of M
100
120
Fig. 3. Equilibrium constant (K) versus tbe atomic number of M for the formation of
MOH(g) at 500-K.
120
100
60
80
Atomic number of M
Fig. 4. Equilibrium constant (K) versus the atomic number of M for the formation of
MOHfe) at 1000°K.
40
-134-
L
20
40
60
80
120
Atomic number of M
Fig. 5. Equilibrium constant (K) versus the atomic number of M for the formation of
MOH(g) at ISOO'K.
40
60
80
Atomic number of M
Fig. 6. Equilibrium constant (K) versus the atomic number of M for the formation of
MOH(g) at 2000°K.
-135-
- u
0
-2
-
-A
-6
"
-8
~
-10
-
Log
>£
-12
-14
-
-1©
-
-IB
40
60
80
120
Atomic number of M
Fig. 7. Equilibrium constant 0 0 versus the atomic number of M for the formation of
MOB(g) at 2500-K.
a
.3
20
40
60
80
Atomic number of M
100
Fig. 8. Equilibrium constant (K) versus the atomic number of M for the formation of
M(OH) (g) at 500°K.
2
-136-
-10
20
40
60
60
100
120
Atomic number of M
Fig. 9. Equilibrima constant OK) versus the atomic number of M for the formation of
M(OH) (g) at lOOOTC
2
20
40
60
80
Atonic number of M
100
120
Fig. 10. Equilibrium constant (K) versus the atomic number of M for the formation of
M(0£) (g) at 1500-K.
2
-137-
1
7—T
-4
-8
-l--T^-rH-- ft_l
r
s
1
:
-12
-16
-20
-241
1
L
20
x
40
I
63
80
Atomic number of M
100
120
Fig. 11. Equilibrium constant (K) versus the atomic number of H for the formation of
M(OB) (g) at 2000"K_
2
20
40
60
80
Atomic number of M
100
120
Fig. 12. Equilibrium constant (K) versus the atomic number of H for the formation of
M(OB) (g) at 2500*K.
2
-138-