CORRELATIONS OF SOLUTE PARTITIONING AND
ENTHALPIES OF SOLVATION FOR ORGANIC SOLUTES IN
IONIC LIQUIDS USING A TEMPERATURE INDEPENDENT
FREE ENERGY RELATIONSHIP
Timothy W. Stephens, Bria Willis, Nishu Dabadge, Amy Tian, William E. Acree, Jr., Michael H. Abraham.
Abstract
Experimental data have been collected from the published literature for the gas-to-ionic liquid partition coefficients and molar enthalpies of
solvation for over 60 solutes in the ionic liquids 1-hexyl-3-methylimidazolium tetracyanoborate ([MHIm]+
[B(CN)4]
–
), 1-(2-methoxyethyl)-
1-methylpiperidinium bis(trifluoromethylsulfonyl)imide ([MeoeMPip]+
[Tf2N]–
), and 1-(2-methoxyethyl)-1-methylpyrrolidinium
bis(trifluoromethylsulfonyl)imide ([MeoeMPyrr]+
[Tf2N]–
) over the temperature range 318.15 K to 368.15 K. The logarithm of the gas-toionic liquid partition coefficient, logKL, have been correlated to a temperature independent free energy relationship utilizing known
Abraham solvation parameters. The resulting mathematical expressions describe the experimental logKL values to within a standard
deviation of 0.077 log units or less and Hsolv to within a standard deviation of 1.344 kJ mol-1 or less.
Key words: partition coefficient, 1-hexyl-3-methylimidazolium tetracyanoborate, 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide and 1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, ionic liquids, temperature
independence, linear free energy relationships, enthalpies of solvation
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