Diploma Programme Chemistry data booklet First assessment 2016 Published February 2014 © International Baccalaureate Organization 2014 4073 Contents 1. Some relevant equations 1 2. Physical constants and unit conversions 2 3. The electromagnetic spectrum 2 4. Fundamental particles 2 5. Names of the elements 3 6. The periodic table 5 7. Melting and boiling points of the elements 6 8. First ionization energy, electron affinity and electronegativity of the elements 7 9. Atomic and ionic radii of the elements 10. Covalent bond lengths 8 9 11. Bond enthalpies and average bond enthalpies at 298 K 10 12. Selected compoundsβthermodynamic data 11 13. Enthalpies of combustion 13 14. Common oxidation numbers of 3-D ions 14 15. Spectrochemical series 14 16. Ligands 14 17. Colour wheel 15 18. Lattice enthalpies at 298 K (experimental values) 15 19. Enthalpies of aqueous solutions 16 20. Enthalpies of hydration 16 21. Strengths of organic acids and bases 17 22. Acidβbase indicators 18 23. Ionization constant of water at varying temperatures 19 24. Standard electrode potentials 20 25. Activity series 21 26. Infrared data 22 27. 1 H NMR data 23 28. Mass spectral fragments lost 24 29. Triangular bonding diagram 24 30. Resin identification codes 25 31. Representations of some materials molecules 25 32. Solubility product constants 26 Chemistry data booklet 33. 2-amino acids 27 34. Lipids, carbohydrates and nucleotide components 29 35. Vitamins and pigments 31 36. Binding energy curve 33 37. Representations of some medicinal molecules 34 38. References 36 Notes This booklet cannot be used for paper 1 of the examination (SLP1 and HLP1), but the periodic table given in section 6 will be available as part of these examination papers. Clean copies of this booklet must be made available to candidates for papers 2 and 3 (SLP2, HLP2, SLP3 and HLP3). Chemistry data booklet 1. Some relevant equations Topic Equation Topic 1.3 ππ = ππ A.5 π = ππβπ B.7 8.3 ππ» = β log10 [H3 O+ ] or B.7 12.1 ππ» = βlog10 [H + ] C.1 2.2 and C.4 5.1 15.2 16.2 16.2 16.2 17.1 19.1 π = π£π πΈ = βπ£ βπΊ ° = βπ» ° β πβπ ° βπΈπ π = π΄π π π ln π = βπΈπ + ln π΄ π π π1 πΈπ 1 1 ln = οΏ½ β οΏ½ π2 π π2 π1 βπΊ° = βπ π ln πΎ βπΊ ° = βππΉπΈ ° Chemistry data booklet A.8 C.1 C.3 C.3 and D.8 C.6 C.7 D.8 Equation % Atom Economy = molar mass of desired product x 100% molar mass of all reactants ππ = 2ππ πππ [π΄β ] ππ» = ππΎπ + log οΏ½ οΏ½ [π»π΄] log10 Energy density = SpeciοΏ½ic energy = πΌ0 = πππ πΌ energy released from fuel volume of fuel consumed energy released from fuel mass of fuel consumed π = π0 π βππ‘ π‘1 = 2 ln 2 π π π πΈ = πΈ 0 β οΏ½ οΏ½ ln π ππΉ Rate1 π2 =οΏ½ Rate2 π1 π‘ ππ‘ = π0 (0.5) οΏ½π 1 2. Physical constants and unit conversions Avogadroβs constant (L or NA) = 6.02 × 10 molβ 23 1 Gas constant (R) = 8.31 J Kβ molβ 1 1 Molar volume of an ideal gas at STP = 2.27 × 10β m molβ (= 22.7 dm molβ ) 2 1 dm = 1 litre = 1 × 10β m = 1 × 10 cm 3 3 3 3 3 1 3 1 3 STP conditions = 273 K and 100 kPa SATP conditions = 298 K and 100 kPa Speed of light = 3.00 × 10 msβ 8 1 Specific heat capacity of water = 4.18 kJ kgβ Kβ = 4.18 J gβ Kβ 1 Planckβs constant (h) = 6.63 × 10β 34 1 1 1 Js β1 Faradayβs constant (F) = 96 500 C mol Ionic product constant for water (Kw) = 1.00 × 10β 14 at 298 K 1 amu = 1.66 × 10β kg 27 3. The electromagnetic spectrum 4. Fundamental particles Proton Neutron Mass (kg) 1.672622 × 10β 27 1.674927 × 10β Charge (C) 1.602189 × 10β 19 0 Chemistry data booklet Electron 27 9.109383 × 10β 31 1.602189 × 10β 19 2 5. Names of the elements Element Symbol Atomic number Element Symbol Atomic number actinium Ac 89 mendelevium Md 101 aluminium Al 13 mercury Hg 80 americium Am 95 molybdenum Mo 42 antimony Sb 51 neodymium Nd 60 argon Ar 18 neon Ne 10 arsenic As 33 neptunium Np 93 astatine At 85 nickel Ni 28 barium Ba 56 niobium Nb 41 berkelium Bk 97 nitrogen N 7 beryllium Be 4 nobelium No 102 bismuth Bi 83 osmium Os 76 bohrium Bh 107 oxygen O 8 boron B 5 palladium Pd 46 bromine Br 35 phosphorus P 15 cadmium Cd 48 platinum Pt 78 caesium Cs 55 plutonium Pu 94 calcium Ca 20 polonium Po 84 californium Cf 98 potassium K 19 carbon C 6 praseodymium Pr 59 cerium Ce 58 promethium Pm 61 chlorine Cl 17 protactinium Pa 91 chromium Cr 24 radium Ra 88 cobalt Co 27 radon Rn 86 copernicium Cn 112 rhenium Re 75 copper Cu 29 rhodium Rh 45 curium Cm 96 roentgenium Rg 111 darmstadtium Ds 110 rubidium Rb 37 dubnium Db 105 ruthenium Ru 44 dysprosium Dy 66 rutherfordium Rf 104 einsteinium Es 99 samarium Sm 62 erbium Er 68 scandium Sc 21 europium Eu 63 seaborgium Sg 106 fermium Fm 100 selenium Se 34 fluorine F 9 silicon Si 14 francium Fr 87 silver Ag 47 Chemistry data booklet 3 Element Symbol Atomic number Element Symbol Atomic number gadolinium Gd 64 sodium Na 11 gallium Ga 31 strontium Sr 38 germanium Ge 32 sulfur S 16 gold Au 79 tantalum Ta 73 hafnium Hf 72 technetium Tc 43 hassium Hs 108 tellurium Te 52 helium He 2 terbium Tb 65 holmium Ho 67 thallium Tl 81 hydrogen H 1 thorium Th 90 indium In 49 thulium Tm 69 iodine I 53 tin Sn 50 iridium Ir 77 titanium Ti 22 iron Fe 26 tungsten W 74 krypton Kr 36 uranium U 92 lanthanum La 57 vanadium V 23 lawrencium Lr 103 xenon Xe 54 lead Pb 82 ytterbium Yb 70 lithium Li 3 yttrium Y 39 lutetium Lu 71 zinc Zn 30 magnesium Mg 12 zirconium Zr 40 manganese Mn 25 meitnerium Mt 109 Chemistry data booklet 4 6. The periodic table 1 2 3 4 5 6 7 8 9 10 11 1 1 H 1.01 2 3 Li 6.94 4 Be 9.01 3 11 Na 22.99 12 Mg 24.31 4 19 K 39.10 20 Ca 40.08 21 Sc 44.96 22 Ti 47.87 23 V 50.94 24 Cr 52.00 25 Mn 54.94 26 Fe 55.85 27 Co 58.93 28 Ni 58.69 29 Cu 63.55 5 37 Rb 85.47 38 Sr 87.62 39 Y 88.91 40 Zr 91.22 41 Nb 92.91 42 Mo 95.96 43 Tc (98) 44 Ru 101.07 45 Rh 102.91 46 Pd 106.42 55 Cs 132.91 87 Fr (223) 56 Ba 137.33 88 Ra (226) 57 β La 138.91 89 β‘ Ac (227) 72 Hf 178.49 104 Rf (267) 73 Ta 180.95 105 Db (268) 74 W 183.84 106 Sg (269) 75 Re 186.21 107 Bh (270) 76 Os 190.23 108 Hs (269) 77 Ir 192.22 109 Mt (278) β 58 Ce 140.12 59 Pr 140.91 60 Nd 144.24 61 Pm (145) 62 Sm 150.36 90 Th 232.04 91 Pa 231.04 92 U 238.03 93 Np (237) 94 Pu (244) 6 7 12 13 14 15 16 17 18 2 He 4.00 Atomic number Element Relative atomic mass β‘ Chemistry data booklet 5 B 10.81 6 C 12.01 7 N 14.01 8 O 16.00 9 F 19.00 10 Ne 20.18 13 Al 26.98 14 Si 28.09 15 P 30.97 16 S 32.07 17 Cl 35.45 18 Ar 39.95 30 Zn 65.38 31 Ga 69.72 32 Ge 72.63 33 As 74.92 34 Se 78.96 35 Br 79.90 36 Kr 83.90 47 Ag 107.87 48 Cd 112.41 49 In 114.82 50 Sn 118.71 51 Sb 121.76 52 Te 127.60 53 I 126.90 54 Xe 131.29 78 Pt 195.08 110 Ds (281) 79 Au 196.97 111 Rg (281) 80 Hg 200.59 112 Cn (285) 81 Tl 204.38 82 Pb 207.20 83 Bi 208.98 84 Po (209) 85 At (210) 86 Rn (222) 113 Uut (286) 114 Uuq (289) 115 Uup (288) 116 Uuh (293) 117 Uus (294) 118 Uuo (294) 63 Eu 151.96 64 Gd 157.25 65 Tb 158.93 66 Dy 162.50 67 Ho 164.93 68 Er 167.26 69 Tm 168.93 70 Yb 173.05 71 Lu 174.97 95 Am (243) 96 Cm (247) 97 Bk (247) 98 Cf (251) 99 Es (252) 100 Fm (257) 101 Md (258) 102 No (259) 103 Lr (262) 5 7. Melting points and boiling points of the elements (at 101.325 kPa) -259.2 H He Melting point (ºC) β268.9 β252.9 Element 2077 3500 β210.0 β218.8 β219.7 β248.6 B C N O F Ne 2468 4000 4827 β195.8 β183.0 β188.1 β246.0 650 660.3 1414 44.2 115.2 β101.5 β189.3 Na Mg Al Si P S Cl Ar 882.9 1090 2519 3265 280.5 444.6 β34.0 β185.8 63.5 842 1541 1670 1910 1907 1246 1538 1495 1455 1084.6 419.5 29.8 938.2 817 220.8 β7.2 β157.4 K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr 180.5 1287 Li Be 1342 97.8 Boiling point (ºC) 759 1484 2836 3287 3407 2671 2061 2861 2927 2913 2560 907 2229 2833 616 685 58.8 β153.4 39.3 777 1522 1854 2477 2622 2157 2333 1963 1554.8 961.8 321.1 156.6 231.9 630.6 449.5 113.7 β111.8 Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe 688 1377 3345 4406 4741 4639 4262 4147 3695 2963 2162 767 2027 2586 1587 988 727 920 2233 3017 3414 3453 3033 2446 1768.2 1064.2 β38.8 304 327.5 271.4 254 184.4 302 β108.1 28.5 Cs Ba La Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn 671 21 1845 696 3464 4600 5455 5555 5900 5008 4428 3825 2836 356.6 1473 1749 1564 962 Fr Ra Ac β61.7 1050 3200 Chemistry data booklet β71 6 8. First ionization energy, electron affinity and electronegativity of the elements 1312 Electron affinity (kJ mol β1) 2nd EA / kJ mol-1 First ionization energy (kJ mol β1) β73 H 2372 He 2.2 β60 520 900 Li Be 1.0 Na Mg Ca 0.8 Rb Sr 0.8 1.0 β46 376 Ba 0.8 0.9 β47 β10 509 Nb 1.3 β45 538 Fe Tc 710 β110 814 β106 906 Zn 731 β205 β126 Ag 1.9 890 β223 Ga 1.6 868 Cd 709 In 1.7 Cl 941 831 869 Sb β91 812 β190 Br Te I 2.1 2.7 β183 β270 Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At 1.1 1.3 1.5 1.7 1.9 2.2 2.2 2.2 2.4 1.9 1.8 1.8 1.9 2.0 2.2 β34 Fr Ra Ac 0.7 0.9 1.1 Chemistry data booklet Ne 1520 Ar 1351 Kr 3.0 1008 β295 La 499 2081 3.2 1140 β325 2.6 β101 703 2.6 β195 Se 2.0 β35 716 S 2.2 β107 2.0 β36 4.0 1251 β349 As Sn 1.8 589 β78 944 2.0 β29 3.4 2.2 β119 Ge 1.8 558 1007 762 F 1000 β200 (+545) P 1.9 β41 579 1.9 β54 2.2 864 β119 Cu Pd 2.3 β151 745 1.9 804 Rh 865 β112 Ni 1.9 720 2.2 β14 756 β101 737 Co Ru 2.1 β79 759 β64 760 1.8 β53 702 2.2 β31 728 Mn Mo β15 762 1.6 β72 684 1.6 β1 659 717 1.7 β88 652 Zr 1.2 β14 503 Cs 393 Y Cr 1.6 β41 640 β64 653 V 1.5 β30 600 β51 651 Ti 1.4 β5 549 β8 659 Sc 1.0 β47 403 β18 633 β72 1012 1681 β328 O 3.0 β134 Si 1.6 β2 590 K 787 Al 1.3 β48 N 2.6 β42 578 1314 β141 (+753) 1402 C 2.0 738 0.9 419 1086 β122 B Electronegativity 1.6 β53 496 β27 801 Element 7 1170 Xe 2.6 1037 Rn 9. Atomic and ionic radii of the elements Atomic radius (10β12 m) 32 H Na He Element 130 99 Li Be 76 (1+) 45 (2+) 160 37 84 75 71 64 60 B C N O F 27 (3+) 16 (4+) 146 (3β) 140 (2β) 133 (1β) Ionic radius/ (10β12 m) 140 124 Mg Al 54 (3+) 102 (1+) 72 (2+) 200 148 144 Ti 86 (2+) 138 (1+) 100 (2+) 75 (3+) 61 (4+) 215 190 176 164 V 79 (2+) 54 (5+) 156 K Rb 174 Ca Sr 159 Sc Y 152 (1+) 118 (2+) 90 (3+) 238 Cs 206 Ba 194 La Zr 72 (4+) 164 Hf 167 (1+) 135 (2+) 103 (3+) 71 (4+) 242 Fr 211 Ra Nb 72 (3+) 64 (5+) 158 130 129 120 Cu Cr Mn Fe Co Ni Zn Ga 62 (3+) 83 (2+) 61 (2+) 65(+2) 77 (1+) 44 (6+) 53 (4+) 55 (3+) 55 (+3) 69 (2+) 73 (2+) 74 (2+) 62(3+) 146 138 136 134 130 136 140 142 Ge 53 (4+) 272(4β) 140 Tc 65 (4+) 65(4+) 150 Ru 118 Rh 117 Pd 122 Ag 120 Si 40 (4+) 123 Mo 124 114 Cd In Sn 109 P 38 (5+) 120 104 100 S Cl 184 (2β) 181 (1β) 118 117 Se Br As 58 (3+) 46 (5+) 198 (2β) 196 (1β) 140 137 136 Sb Te I 68(3+) 67 (+3) 86(2+) 115 (1+) 95 (2+) 80(3+) 118(2+) 76 (3+) 221 (2β) 220(1β) 62 (4+) 60 (+4) 62(4+) 69 (4+) 141 136 132 130 130 132 144 145 150 142 148 Ta W Re Os Ir Pt 64 (5+) 66 (4+) 60(6+) 63(4+) 53(7+) 63 (4+) 55(6+) 68(+3) 63 (+4) 80(2+) 63(4+) Au Hg Tl Pb Bi 137 (1+) 119 (1+) 150 (1+) 119 (2+) 103 (3+) 85 (3+) 102 (2+) 89 (3) 78 (4+) 76(5+) Po At 97(4+) 201 Ac Chemistry data booklet 8 62 Ne 101 Ar 116 Kr 136 Xe 146 Rn 10. Covalent bond lengths Single bonds (10-12 m = pm) Br C Cl F H I N Br 228 194 214 176 141 247 214 C 194 154 177 138 108 214 147 Cl 214 177 199 163 128 232 F 176 138 163 142 92 H 141 108 128 92 I 247 214 232 N 214 147 O P S Si 220 227 216 143 184 182 185 197 170 203 199 202 257 136 142 154 158 156 74 160 101 97 142 134 148 257 160 267 197 136 101 146 136 143 170 142 97 136 148 P 220 184 203 154 142 S 227 182 199 158 134 Si 216 185 202 156 148 247 243 175 174 154 161 163 154 221 210 175 161 210 205 215 174 163 215 232 247 243 O Multiple bonds (10-12 m = pm) C=C 134 Cβ‘N 116 Nβ‘N 110 Cβ‘C 120 C=O 122 N=O 114 C βββ C 140 C=S 156 O=O 121 130 N=N 125 S=S 189 (in benzene) C=N Chemistry data booklet 9 11. Bond enthalpies and average bond enthalpies at 298 K Single bonds (kJ mol-1) Br C Cl F H I Br 193 285 219 249 366 178 C 285 346 324 492 414 228 Cl 219 324 242 255 431 F 249 492 255 159 H 366 414 431 I 178 228 N N O P S Si 201 264 218 330 286 358 264 289 307 211 192 206 322 271 400 567 280 278 191 490 327 597 567 436 298 391 463 322 364 323 211 280 298 151 201 184 234 286 192 278 391 466 O 201 358 206 191 463 201 P 264 264 322 490 322 184 S 218 289 271 327 364 Si 330 307 400 597 323 234 158 214 214 144 363 363 198 466 266 293 293 226 Multiple bonds (kJ mol-1) C=C 614 Cβ‘N 890 Nβ‘N 945 Cβ‘C 839 C=O 804 N=O 587 C βββ C 507 C=S 536 O=O 498 615 N=N 470 S=S 429 (in benzene) C=N Chemistry data booklet 10 12. Selected compoundsβthermodynamic data Substance Formula State (kJ molβ1) (kJ molβ1 ) (J Kβ1 molβ1) methane CH4 g β74.0 β50.0 +186 ethane C2H6 g β84.0 β32.0 +230 propane C3H8 g β105 β24.0 +270 butane C4H10 g β126 β17.0 +310 pentane C5H12 l β173 hexane C6H14 l β199 ethene C2H4 g +52.0 +68.0 +220 propene C3H6 g +20.0 +62.0 +267 but-1-ene C4H8 g +0.10 +71.0 +306 cis-but-2-ene C4H8 g β7.0 +66.0 +301 trans-but-2-ene C4H8 g β11.0 +63.0 +297 ethyne C2H2 g +228 +211 +201 propyne C3H4 g +185 +194 +248 buta-1,3-diene C4H6 g +110 +151 +279 cyclohexane C6H12 l β156 benzene C6H6 l +49.0 +125 +173 methylbenzene C6H5CH3 l +12.0 ethylbenzene C6H5CH2CH3 l β12.0 phenylethene C6H5CHCH2 l +104 chloromethane CH3Cl g β82.0 β58.0 +235 dichloromethane CH2Cl2 l β124 trichloromethane CHCl3 l β134 β74.0 +202 bromomethane CH3Br g β36.0 β26.0 +246 iodomethane CH3I l β14.0 chloroethane C2H5Cl g β137 β53.0 bromoethane C2H5Br l β90.0 β26.0 +199 chlorobenzene C6H5Cl l +11.0 methanol CH3OH l β239 β167 +127 ethanol C2H5OH l β278 β175 +161 phenol C6H5OH s β165 methanal HCHO g β109 β102 +219 ethanal CH3CHO g β166 β133 +264 propanone (CH3)2CO l β248 methanoic acid HCOOH l β425 β361 +129 ethanoic acid CH3COOH l β484 β390 +160 benzoic acid C6H5COOH s β385 methylamine CH3NH2 g β23 +32.0 +243 water H2O l β285.8 β237.1 +70.0 Chemistry data booklet +178 +163 +144 +200 +168 11 Substance Formula State (kJ molβ1) (kJ molβ1 ) (J Kβ1 molβ1) steam H2O g β241.8 β228.6 +188.8 carbon monoxide CO g β110.5 β137.2 +197.7 carbon dioxide CO2 g β393.5 β394.4 +213.8 hydrogen bromide HBr g β36.3 β53.4 +198.7 hydrogen chloride HCl g β92.3 β95.3 +186.9 hydrogen fluoride HF g β273.3 β275.4 +173.8 hydrogen iodide HI g +26.5 +1.7 +206.6 Chemistry data booklet 12 13. Enthalpies of combustion 5 The values of the molar enthalpy of combustion(βπ»π° ) in the following table refer to a temperature of 298 K and a pressure of 1.00 × 10 Pa. Substance Formula State g βπ―°π (kJ molβ1) β286 propan-1-ol C3H7OH 1 βπ―°π (kJ molβ1) S s β297 butan-1-ol C4H9OH 1 β2676 carbon (graphite) C s β394 cyclohexanol C6H11OH s β3728 carbon monoxide CO g β283 phenol C6H5OH s β3053 methane CH4 g β891 ethoxyethane (C2H5)2O l β2724 ethane C2H6 g β1561 methanal HCHO g β571 propane C3H8 g β2219 ethanal CH3CHO g β1167 butane C4H10 g β2878 benzaldehyde C6H5CHO l β3525 pentane C5H12 l β3509 propanone (CH3)2CO l β1790 hexane C6H14 l β4163 pentan-3-one (C2H5)2CO l β3100 octane C8H18 l β5470 phenylethanone CH3COC6H5 l β4149 cyclohexane C6H12 l β3920 methanoic acid HCOOH l β255 ethene C2H4 g β1411 ethanoic acid CH3COOH l β874 buta-1,3-diene C4H6 g β2541 benzoic acid C6H5COOH s β3228 ethyne C2H2 g β1301 ethanedioic acid (COOH)2 s β243 benzene C6H6 l β3268 ethyl ethanoate CH3COOC2H5 l β2238 methylbenzene C6H5CH3 l β3910 ethanamide CH3CONH2 s β1186 naphthalene C10H8 s β5156 methylamine CH3NH2 g β1086 chloroethane C2H5Cl g β1413 phenylamine C6H5NH2 l β3393 iodoethane C2H5I l β1463 nitrobenzene C6H5NO2 l β3088 trichloromethane CHCl3 l β473 urea CO(NH2)2 s β633 methanol CH3OH l β726 glucose C6H12O6 s β2803 ethanol C2H5OH l β1367 sucrose C12H22O11 s β5640 Substance Formula State hydrogen H2 sulfur Chemistry data booklet β2021 13 14. Common oxidation numbers of 3-D ions Sc Ti V Cr Mn Fe Co Ni Cu Zn +1 +3 +2 +2 +2 +2 +2 +2 +3 +3 +3 +3 +3 +3 +4 +4 +2 +2 +2 +4 +5 +6 +6 +7 15. Spectrochemical series Ligands can be arranged in a spectrochemical series according to the energy difference they produce between the two sets of d-orbitals in an octahedral complex. β β β β β β β β I < Br < S2 < Cl < F < OH < H2O < SCN < NH3 < CN < CO 16. Ligands NH2 H2N ethylene diamine/1,2ethanediamine HO O HO N O N O O O O O- HO OH Ooxalate/ethanedioate EDTA Chemistry data booklet 14 17. Colour wheel 18. Lattice enthalpies at 298 K (experimental values) ° The lattice enthalpy values (βπ»lattice ) given relate to the endothermic process MaXb(s) β a M in which the gaseous ions of a crystal are separated to an infinite distance from each other. b+ a- (g) + b X (g) Experimental values The data in this table are experimental values obtained by means of a suitable BornβHaber cycle. Alkali metal halides βπ―°π₯ππππ’ππ (kJ molβ1) F Cl Br I Li 1049 864 820 764 Na 930 790 754 705 K 829 720 691 650 Rb 795 695 668 632 Cs 759 670 647 613 Other substances CaF2 βπ―°π₯ππππ’ππ (kJ molβ1) 2651 CuCl2 βπ―°π₯ππππ’ππ (kJ molβ1) BeCl2 3033 AgF 974 MgCl2 2540 AgCl 918 CaCl2 2271 AgBr 905 SrCl2 2170 AgI 892 BaCl2 2069 MgO 3791 CaO 3401 SrO 3223 BaO 3054 Other substances Chemistry data booklet 2824 15 19. Enthalpies of aqueous solutions Solute NH4Cl βπ―°π¬π¨π₯ (kJ mol-1) +14.78 KCl βπ―°π¬π¨π₯ (kJ mol-1) NH4NO3 +25.69 KBr +19.87 LiF +4.73 KI +20.33 LiCl β37.03 RbF β26.11 LiBr β48.83 RbCl +17.28 LiI β63.30 RbBr +21.88 NaF +0.91 RbI +25.10 NaCl +3.88 CsF β36.86 NaBr β0.60 CsCl +17.78 NaI β7.53 CsBr +25.98 KF β17.73 CsI +33.35 Anions Li+ βπ―°π‘π²π (kJ mol-1) β538 Fβ βπ―°hyd (kJ mol-1) Na+ β424 Clβ β359 β Solute +17.22 20. Enthalpies of hydration Cations β504 β340 Br β328 + β315 I β β287 Cs+ β291 ClO3β β331 β β358 K + Rb Be 2+ Mg Ca 2+ 2+ 2+ Sr Ba 2+ Ra 2+ β2524 BrO3 β1963 β IO3 β446 β β1616 ClO4 β1483 β β519 β β341 β1346 β1335 OH CN NO3 β β β4741 HCO3 β4745 CO32β In 3+ β4171 β Tl 3+ Al 3+ Ga3+ Tl+ β316 β383 β1486 β362 β4163 SO4 2β β1099 β346 PO43β β2921 Sn 2+ β1587 Pb 2+ β1523 Chemistry data booklet HSO4 β205 16 21. Strengths of organic acids and bases The acid strengths in the following tables are given in terms of pKa values, where pKa = βlog10 Ka. The dissociation constant, Ka, values are for aqueous solutions at 298 K. Base strengths are given in terms of pKb values. Carboxylic acids Name Formula pKa methanoic HCOOH 3.75 ethanoic CH3COOH 4.76 propanoic CH3CH2COOH 4.87 butanoic CH3(CH2)2COOH 4.83 2-methylpropanoic (CH3)2CHCOOH 4.84 pentanoic CH3(CH2)3COOH 4.83 2,2-dimethylpropanoic (CH3)3CCOOH 5.03 benzoic C6H5COOH 4.20 phenylethanoic C6H5CH2COOH 4.31 Halogenated carboxylic acids Name Formula pKa chloroethanoic CH2ClCOOH 2.87 dichloroethanoic CHCl2COOH 1.35 trichloroethanoic CCl3COOH 0.66 fluoroethanoic CH2FCOOH 2.59 bromoethanoic CH2BrCOOH 2.90 iodoethanoic CH2ICOOH 3.18 Name Formula pKa phenol C6H5OH 9.99 2-nitrophenol O2NC6H4OH 7.23 3-nitrophenol O2NC6H4OH 8.36 4-nitrophenol O2NC6H4OH 7.15 2,4-dinitrophenol (O2N)2C6H3OH 4.07 2,4,6-trinitrophenol (O2N)3C6H2OH 0.42 Phenols Chemistry data booklet 17 Alcohols Name Formula pKa methanol CH3OH 15.5 ethanol C2H5OH 15.5 Name Formula pKb ammonia NH3 4.75 methylamine CH3NH2 3.34 ethylamine CH3CH2NH2 3.35 dimethylamine (CH3)2NH 3.27 trimethylamine (CH3)3N 4.20 diethylamine (C2H5)2NH 3.16 triethylamine (C2H5)3N 3.25 phenylamine C6H5NH2 9.13 Amines 22. Acid-base indicators Colour change Indicator pKa pH range Acid Alkali methyl orange 3.7 3.1β4.4 red yellow bromophenol blue 4.2 3.0β4.6 yellow blue bromocresol green 4.7 3.8β5.4 yellow blue methyl red 5.1 4.4β6.2 red yellow bromothymol blue 7.0 6.0β7.6 yellow blue phenol red 7.9 6.8β8.4 yellow red phenolphthalein 9.6 8.3β10.0 colourless pink Chemistry data booklet 18 23. Ionization constant of water at varying temperatures Temperature (ºC) Temperature (ºC) Kw value 0 0.113 x 10 -14 55 7.24 x 10-14 5 0.185 x 10-14 60 9.55 x 10-14 10 0.292 x 10-14 65 12.4 x 10-14 15 0.453 x 10-14 70 15.9 x 10-14 20 0.684 x 10-14 75 20.1 x 10-14 25 1.00 x 10-14 80 25.2 x 10-14 30 1.47 x 10-14 85 31.3 x 10-14 35 2.09 x 10-14 90 38.3 x 10-14 40 2.92 x 10-14 95 46.6 x 10-14 45 4.02 x 10-14 100 56.0 x 10-14 50 5.43 x 10-14 Chemistry data booklet Kw value 19 24. Standard electrode potentials (298 K) Oxidized species π¬° (V) Li+(aq) + eβ Li(s) K+(aq) + eβ K(s) β2.93 Ca2+(aq) + 2eβ Ca(s) β2.87 Na+(aq) + eβ Na(s) β2.71 Mg2+(aq) + 2eβ Mg(s) β2.37 Al3+(aq) + 3eβ Al(s) β1.66 Mn2+(aq) + 2eβ Mn(s) β1.18 ½H2(g) + OHβ(aq) β0.83 Zn2+(aq) + 2eβ Zn(s) β0.76 Fe2+(aq) + 2eβ H2O(l) + eβ β3.04 Fe(s) β0.45 2+ β Ni(s) β0.26 2+ β Sn(s) β0.14 2+ β Pb(s) β0.13 + β ½H2(g) 2+ β + Ni (aq) + 2e Sn (aq) + 2e Pb (aq) + 2e H (aq) + e Cu (aq) + e 0.00 Cu (aq) +0.15 H2SO3(aq) + H2O(l) +0.17 Cu(s) +0.34 2OHβ(aq) +0.40 Cu+(aq) + eβ Cu(s) +0.52 ½I2(s) + eβ Iβ(aq) +0.54 Fe3+(aq) + eβ Fe2+(aq) +0.77 Ag+(aq) + eβ Ag(s) +0.80 ½Br2(l) + eβ Brβ(aq) +1.09 ½O2(g) + 2H+(aq) + 2eβ H2O(l) +1.23 2Cr3+(aq) + 7H2O(l) +1.36 Clβ(aq) +1.36 Mn2+(aq) + 4H2O(l) +1.51 Fβ(aq) +2.87 SO42β(aq) + 4H+(aq) + 2eβ Cu2+(aq) + 2eβ ½O2(g) + H2O(l) + 2eβ Cr2O72β(aq) + 14H+(aq) + 6eβ ½Cl2(g) + eβ MnO4β(aq) + 8H+(aq) + 5eβ ½F2(g) + eβ Chemistry data booklet Reduced species 20 25. Activity series Li Cs Rb K Ba Sr Ca Na Mg Be Al C Zn Cr Fe Cd Co Ni Sn Pb H Sb As Bi Cu Ag Pd Hg Pt Au Chemistry data booklet 21 26. Infrared data Characteristic ranges for infrared absorption due to stretching vibrations in organic molecules. Bond Organic molecules Wavenumber (cmβ1) Intensity CβI iodoalkanes 490β620 strong CβBr bromoalkanes 500β600 strong CβCl chloroalkanes 600β800 strong CβF fluoroalkanes 1000β1400 strong CβO alcohols, esters, ethers 1050β1410 strong C=C alkenes 1620β1680 medium-weak; multiple bands C=O aldehydes, ketones, carboxylic acids and esters 1700β1750 strong Cβ‘C alkynes 2100β2260 variable OβH hydrogen bonding in carboxylic acids 2500β3000 strong, very broad CβH alkanes, alkenes, arenes 2850β3090 strong OβH hydrogen bonding in alcohols and phenols 3200β3600 strong, broad NβH primary amines 3300β3500 medium, two bands Chemistry data booklet 22 27. 1H NMR data Typical proton chemical shift values (Ξ΄) relative to tetramethylsilane (TMS) = 0. R represents an alkyl group, and Hal represents F, Cl, Br, or I. These values may vary in different solvents and conditions. Type of proton Chemical shift (ppm) CH3 0.9β1.0 CH2 R 1.3β1.4 R2CH 1.5 O 2.0β2.5 C RO CH2 O 2.2β2.7 C R CH2 CH3 H 1.8β3.1 CH2 Hal 3.5β4.4 C R 2.5β3.5 C CH2 O 3.3β3.7 O R 3.7β4.8 C CH2 O O 9.0β13.0 C R R H O O HC H 1.0β6.0 CH2 4.5β6.0 OH 4.0β12.0 H 6.9β9.0 O R Chemistry data booklet C 9.4β10.0 H 23 28. Mass spectral fragments lost Mass lost Fragment lost Mass lost Fragment lost 15 CH3· 29 CH3CH2·, CHO· 17 OH· 31 CH3O· 18 H2O 45 COOH· 28 CH2=CH2, C=O· 29. Triangular bonding diagram Chemistry data booklet 24 30. Resin identification codes Resin Identification Code (RIC) Resin Identification Code (RIC) Plastic types Plastic types polyethylene terephthalate polypropylene high-density polyethylene polystyrene polyvinyl chloride other low-density polyethylene 31. Representations of some materials molecules O Clm m O Cln Clnn C O Clm polychlorinated biphenyls Cl O 1.4-dioxin polychlorinated dibenzofuran O Cl Clm Cl O 2,3,7,8-tetrachlorodibenzodioxin Chemistry data booklet Cl Cln O polychlorinated dibenzo-p-dioxin 25 32. Solubility product constants (at 298 K) Compound Compound Ksp BaCO3 2.58 x 10 -9 Hg2CO3 3.6 x 10-17 Ba(OH)2·8H2O 2.55 x 10-4 Hg2SO4 6.5 x 10-7 BaSO4 1.08 x 10-10 NiCO3 1.42 x 10-7 CdCO3 1.0 x 10-12 Ni(OH)2 5.48 x 10-16 Cd(OH)2 7.2 x 10-15 Ag2CO3 8.46 x 10-12 PbCO3 7.40 x 10-14 Ag2SO4 1.20 x 10-5 Pb(OH)2 1.43 x 10-20 ZnCO3 1.46 x10-10 PbSO4 2.53 x 10-8 Zn(OH)2 3 x 10-17 Chemistry data booklet Ksp 26 33. 2-amino acids Common name Symbol alanine Ala pH of isoelectric point Structural formula H2N COOH CH 6.0 CH3 arginine Arg H2N COOH CH 10.8 CH2 CH2 CH2 NH C NH2 NH asparagine H2N Asn CH COOH 5.4 NH2 CH2 C O aspartic acid H2N Asp COOH CH 2.8 CH2 COOH cysteine H2N Cys COOH CH 5.1 CH2 SH glutamic acid H2N Glu CH COOH 3.2 CH2 CH2 COOH glutamine Gln H2N COOH CH CH2 CH2 C 5.7 NH2 O glycine Gly H2N CH2 COOH 6.0 histidine His H2N CH COOH 7.6 CH2 N N H isoleucine leucine Ile H2N CH COOH H3C CH CH2 CH3 H2N Leu CH 6.0 COOH 6.0 CH2 H3C lysine Lys H2N CH CH CH3 COOH 9.7 CH2 CH2 CH2 CH2 NH2 methionine Met H2N CH COOH CH2 CH2 S Chemistry data booklet 5.7 CH3 27 Common name Symbol phenylalanine Phe Structural formula H2N CH COOH pH of isoelectric point 5.5 CH2 proline COOH Pro 6.3 HN serine Ser H2N CH COOH 5.7 CH2 OH threonine tryptophan Thr Trp H2N CH COOH H3C CH OH H2N CH COOH 5.9 COOH 5.7 6.0 5.6 CH2 N H tyrosine Tyr H2N CH CH2 OH valine Chemistry data booklet Val H2N CH COOH H3C CH CH3 28 34. Lipids, carbohydrates and nucleotide components Lipids Octanoic acid CH3(CH2)6COOH Lauric acid CH3(CH2)10COOH Palmitic acid CH3(CH2)14COOH Stearic acid CH3(CH2)16COOH Oleic acid CH3(CH2)7CH Linoleic acid CH3(CH2)4(CH Ξ±-Linolenic acid CH3CH2(CH CH(CH2)7COOH CHCH2)2(CH2)6COOH CHCH2)3(CH2)6COOH CH3 CH2 H3C H CH2 CH CH2 C CH3 CH3 CH3 HO cholesterol Carbohydrates C O CH2OH C OH C O HO C H C H H C OH C OH C OH C OH H H H HO H H CH2OH straight chain glucose Chemistry data booklet CH2OH Ξ±-glucose straight chain fructose 29 CH2OH CH2OH OH CH2OH O O H H HO H OH H OH H H OH OH ribose O H H H fructose OH CH2OH H H H OH deoxyribose Nitrogenous bases NH2 N HC C N NH2 O C C N HN CH N H2N C C N C C H N N CH N H adenine guanine O C C N CH CH H cytosine O H N O C C N CH CH O H N H O uracil Chemistry data booklet C C N C CH3 CH H thymine 30 35. Vitamins and pigments Vitamins HO O HC CH3 CH3 CH CH C CH HO CH3 CH CH C CH CH2 O CH2 OH CH3 HO OH CH3 retinol (vitamin A) ascorbic acid (vitamin C) CH3 CH2 H3C H CH2 CH2 CH C CH3 CH3 HC CH CH2 HO vitamin D (D3) Chemistry data booklet 31 Pigments H2C R CH H3C CH2 CH3 OH O N N Mg H2C CH N CH2 CH3 H3C N N N Fe2+ HC CH3 CH3 H C O C O CH N C H H H2C N H2C H CH2 O H2C CH2 2+ HC HO CH3 H3C O CH H2C O O CH3 C20H39 chlorophyll heme B R R OH OH O O O CH3 CH O C CH CH CH glucose OH flavylium cation (red) H3C CH3 CH3 CH R glucose OH quinoidal base (blue) H3C O+ HO R C CH CH CH CH C CH CH3 CH3 CH CH C CH CH3 CH H3C CH3 Ξ±-carotene Chemistry data booklet 32 H3C CH3 CH3 CH CH C H3C CH3 CH CH CH C CH CH CH CH C CH CH CH CH3 CH3 C CH CH3 CH H3C CH3 Ξ²-carotene CH3 CH3 CH H3C H C C CH CH CH CH CH C CH C CH CH CH3 CH3 CH3 CH3 CH CH O C H3C CH CH3 CH3 HC O 11-cis-retinal all-trans-retinal 36. Binding energy curve Chemistry data booklet 33 37. Representations of some medicinal molecules R O C H N C OH H3C N O HO O penicillin (general structure) OH CH3 C CH3 C aspirin H2C CH3 O O C S O CH3 H H3C CH3 paracetamol (acetaminophen) OH H2 C H2 C CH2 N H3C H3C N N OH CH2 O O OH O morphine H2 C O C COOH C H ibuprofen H3C N H CH3 codeine O C CH2 CH3 H N O N S O H3C O O N CH3 O C O H3C omeprazole H N O N CH3 CH3 diamorphine (heroin) H3C O ON+ S NH CH3 O H3C ranitidine Chemistry data booklet 34 HO O H2N O O OH CH3 HO H N H3C N H H3C H O O OH O H3C HN O H3C HN NH2 oseltamivir zanamivir O CH3 O O NH H3C O O CH3 OH CH3 O CH3 OH HO O O O O O H3C taxol Chemistry data booklet 35 38. References Data in sections 9, 10, 11, 12, 13, 22, 26 and 27 was taken fully or in part from: Aylward, G and Findlay, T. 2008. SI chemical data. (5th edition). Queensland, Australia. John Wiley & Sons. Data in section 20 reproduced by permission of The Royal Society of Chemistry. Barret, J. 2003. Inorganic chemistry in aqueous solution. London, UK. Royal Society of Chemistry. Data in section 13 was taken in part from: Burgess, DR. 2012. "Thermochemical Data". NIST Chemistry WebBook, NIST Standard Reference Database. Number 69. http://webbook.nist.gov. Data in sections 7, 8, 9, 12, 13, 18, 19, 21, 23, 24, 28, 32, 33 was taken fully or in part from: Haynes, WM, (ed). 2012. CRC Handbook of chemistry and physics. (93rd edition). Boca Raton, US. CRC Press. Data in section 29 can be found in the following source: Leach, MR. 2013. Timeline of structural theory. 04 January 2013. http://www.meta-synthesis.com/webbook/30_timeline/timeline.html. Chemistry data booklet 36
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