Figure 1.
Data points
labeled
#1-#673
indicate an
ionic liquid;
those labeled
#674-#820
designate an
organic
solvent.
Figure 2.
Data points
labeled
#1-#147
indicate an
organic
solvent;
those labeled
#148-#172
designate a
biological
system or
barrier.
Figure
Figure3.
3. Data
points
Data points
labeled
#1-#673
labeled
indicate
#1-#673an
ionic
indicate
liquid;
an
those
ionic labeled
liquid;
#674-#689
those labeled
#674-#689
designate
a
designate a
human
human
biological
barrier.
biological
barrier.
Figure 4.
Data points
labeled
#1-#673
indicate an
ionic liquid;
those labeled
#674-#698
designate a
biological
system or
barrier.
Figure 5. Log P Linear
Relationship Between
Blood-Fat Barrier and
Ionic Liquid
[EtOHMIm]+[FAP] y = 0.822x - 0.4632
R² = 0.96101
Figure 6. Log P Linear
Relationship Between
Blood-Liver Barrier and
Ionic Liquid
[EtOHMIm]+[FAP] y = 0.1132x - 0.0083
R² = 0.93341
Figure 7. Log P Linear
Relationship Between
Blood-Brain Barrier and
Ionic Liquid
[EtOHMIm]+[FAP] y = 3.1641x + 1.4441
R² = 0.96676
Figure 8. Log LC and
Log P Linear
Relationship between
Daphnia pulex and
[MeoeMPyrr]+[FAP]y = 0.6336x + 1.7257
R² = 0.88934
Figure 9. Log LC and
Log P Linear
Relationship between
Crassius artratus and
[OiQu]+[Tf2N]y = 0.6551x + 1.5561
R² = 0.90748
Figure 10. Log LC and
Log P Linear
Relationship between
Lepomis macrochirus
and [MHIm]+[FAP]y = 0.5407x + 2.1093
R² = 0.84171
Abraham, M. H., & Acree, W. E. (2013). Descriptors for Artemisinin and its Derivatives; Estimation of Physicochemical and Biochemical Data European Chemical Bulletin, 2(12), 1027­1037. Abraham, M. H., & Ibrahim, A. (2006). Air to fat and blood to fat distribution of volatile organic compounds and drugs: linear free energy analyses. European journal of medicinal chemistry, 41(12), 1430­1438. Abraham, M. H., Ibrahim, A., & Acree Jr, W. E. (2006). Air to Brain, blood to brain and plasma to brain distribution of volatile organic compounds: linear free energy analyses. European journal of medicinal chemistry, 41(4), 494­502. Abraham, M. H., Ibrahim, A., & Acree Jr, W. E. (2007). Air to liver partition coefficients for volatile organic compounds and blood to liver partition coefficients for volatile organic compounds and drugs. European journal of medicinal chemistry, 42(6), 743­751. Abraham, M. H., Smith, R. E., Luchtefeld, R., Boorem, A. J., Luo, R., & Acree, W. E. (2010). Prediction of solubility of drugs and other compounds in organic solvents. Journal of pharmaceutical sciences, 99(3), 1500­1515. Acree Jr, W. E. (2006). Thermodynamics of the Abraham General Solvation Model: Solubility and Partition Aspects (Doctoral dissertation, University of North Texas). Acree Jr, W. E. (2009). Predicting chemical and biochemical properties using the Abraham general solvation model (Doctoral dissertation, University of North Texas). Acree Jr, W. E. (2013). IUPAC­NIST Solubility Data Series. 99. Solubility of Benzoic Acid and Substituted Benzoic Acids in Both Neat Organic Solvents and Organic Solvent Mixtures. Journal of Physical and Chemical Reference Data, 42(3), 033103. Acree Jr, W. E. (2014). IUPAC­NIST Solubility Data Series. 102. Solubility of Nonsteroidal Anti­inflammatory Drugs (NSAIDs) in Neat Organic Solvents and Organic Solvent Mixtures. Journal of Physical and Chemical Reference Data,43(2), 023102. Acree Jr, W. E., & Grubbs, L. M. (2011). Selection of ionic liquid solvents for chemical separations based on the Abraham model. Ionic Liquids, Applications and Perspectives, 273­302. Acree Jr, W. E., & Grubbs, L. M. (2012). Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model. Acree, W. E., & Grubbs, L. M. (2012). Prediction of partition coefficients and permeability of drug molecules in biological systems with Abraham Model Solute Descriptors derived from measured solubilities and water to organic solvent partition coefficients. Toxicity and Drug Testing. Blake­Taylor, B. H., Deleon, V. H., Acree, W. E., & Abraham, M. H. (2007). Mathematical correlation of salicylamide solubilities in organic solvents with the Abraham solvation parameter model. Physics and Chemistry of Liquids, 45(4), 389­398. Blake­Taylor, B. H., Deleon, V. H., Acree, W. E., & Abraham, M. H. (2007). Mathematical correlation of salicylamide solubilities in organic solvents with the Abraham solvation parameter model. Physics and Chemistry of Liquids, 45(4), 389­398. Daniels, C. R., Charlton, A. K., Acree, W. E., & Abraham, M. H. (2004). Thermochemical behavior of dissolved Carboxylic Acid solutes: Part 2–Mathematical Correlation of Ketoprofen Solubilities with the Abraham General Solvation Model. Physics and Chemistry of Liquids, 42(3), 305­312.N MODEL European Chemical Bulletin,2(12), 954­964. Grubbs, L. M., Ye, S., Saifullah, M., Acree Jr, W. E., Twu, P., Anderson, J. L., ... & Abraham, M. H. (2011).
Correlation of the Solubilizing Abilities of Hexyl (trimethyl) ammonium bis ((Trifluoromethyl) sulfonyl) imide, 1­Propyl­1­methylpiperidinium bis ((Trifluoromethyl) sulfonyl) imide, and 1­Butyl­1­methyl­pyrrolidinium Thiocyanate. Journal of solution chemistry, 40(12), 2000­2022. Hoover, K. R., Acree, W. E., & Abraham, M. H. (2005). Chemical toxicity correlations for several fish species based on the Abraham solvation parameter model. Chemical research in toxicology, 18(9), 1497­1505. Hoover, K. R., Flanagan, K. B., Acree, Jr, W. E., & Abraham, M. H. (2007). Chemical toxicity correlations for several protozoas, bacteria, and water fleas based on the Abraham solvation parameter model. Journal of Environmental Engineering and Science, 6(2), 165­174. Hoover, K. R., Stovall, D. M., Pustejovsky, E., Coaxum, R., Pop, K., Acree Jr, W. E., & Abraham, M. H. (2004). Solubility of crystalline nonelectrolyte solutes in organic solvents Mathematical correlation of 2­methoxybenzoic acid and 4­methoxybenzoic acid solubilities with the Abraham solvation parameter model.Canadian journal of chemistry, 82(9), 1353­1360. Mintz, C., & Acree, W. E. (2007). Partition coefficient correlations for transfer of solutes from gas phase and water to room temperature ionic liquids. Physics and Chemistry of Liquids, 45(3), 241­249. Moïse, J. C., Mutelet, F., Jaubert, J. N., Grubbs, L. M., Acree Jr, W. E., & Baker, G. A. (2011). Activity coefficients at infinite dilution of organic compounds in four new imidazolium­based ionic liquids. Journal of Chemical & Engineering Data, 56(7), 3106­3114. Mutelet, F., Alonso, D., Stephens, T. W., Acree Jr, W. E., & Baker, G. A. (2014). Infinite Dilution Activity Coefficients of Solutes Dissolved in Two Trihexyl (tetradecyl) phosphonium Ionic Liquids. Journal of Chemical & Engineering Data. Mutelet, F., Hassan, E. S. R., Stephens, T. W., Acree Jr, W. E., & Baker, G. A. (2013). Activity coefficients at infinite dilution for organic solutes dissolved in three 1­alkyl­1­methylpyrrolidinium bis (trifluoromethylsulfonyl) imide ionic liquids bearing short linear alkyl side chains of three to five carbons. Journal of Chemical & Engineering Data, 58(8), 2210­2218. Sprunger, L. M., Proctor, A., Acree Jr, W. E., & Abraham, M. H. (2008). LFER correlations for room temperature ionic liquids: Separation of equation coefficients into individual cation­specific and anion­specific contributions. Fluid Phase Equilibria, 265(1), 104­111. Stephens, T. W., Acree Jr, W. E., Twu, P., Anderson, J. L., Baker, G. A., & Abraham, M. H. (2012). Correlation of the Solubilizing Abilities of 1­Butyl­1­methylpiperidinium Bis (trifluoromethylsulfonyl) imide and 1­Butyl­1­methylpyrrolidinium Tetracyanoborate. Journal of solution chemistry, 41(7), 1165­1184. Stephens, T. W., Chou, V., Quay, A. N., Shen, C., Dabadge, N., Tian, A., ... & Abraham, M. H. (2014). Thermochemical investigations of solute transfer into ionic liquid solvents: updated Abraham model equation coefficients for solute activity coefficient and partition coefficient predictions. Physics and Chemistry of Liquids, (ahead­of­print), 1­31. Twu, P., Anderson, J. L., Stephens, T. W., Lu, H., Satish, K., Shan, D., ... & Abraham, M. H. (2013). Determination Of The Solubilizing Character Of 1­(2­Hydroxyethyl)­1­Methylimidazolium Tris (Pentafluoroethyl) Trifluorophosphate Based On The Abraham Solvation Parameter Model. Twu, P., Anderson, J. L., Stephens, T. W., Wilson, A., Acree Jr, W. E., & Abraham, M. H. (2013). Correlation of the Solubilizing Abilities of 1­Butyl­1­methyl­pyrrolidinium Tris (pentafluoroethyl) trifluorophosphate, 1­Butyl­1­methylpyrrolidinium Triflate and 1­Methoxyethyl­1­methylmorpholinium Tris (pentafluoroethyl) trifluorophosphate. Journal of Solution Chemistry, 42(4), 772­799. Ye, S., Saifullah, M., Grubbs, L. M., McMillan­Wiggins, M. C., Acosta, P., Mejorado, D., ... & Abraham, M. H. (2011). Determination of the Abraham model solute descriptors for 3, 5­dinitro­2­methylbenzoic acid from measured solubility data in organic solvents. Physics and Chemistry of Liquids, 49(6), 821­829.