Amanda N. Quay

Thermochemical investigations of solute transfer into ionic liquid solvents: updated Abraham model equation coefficients for solute activity coefficient and partition coefficient predictions

Experimental data have been compiled from the published chemical and engineering literature pertaining to the infinite dilution activity coefficients, gas solubilities and chromatographic retention factors for solutes dissolved in ionic liquid (IL) solvents. Chromatographic retention factors for 45 solutes on a 1-butyl-1-methylpyrrolidinium tricyanomethanide IL gas–liquid chromatographic stationary phase are included in the compilation. The published experimental data were converted to gas-to-IL and water-to-IL partition coefficients and correlated with the ion-specific equation coefficient version of the Abraham general solvation model. Ion-specific equation coefficients were calculated for 40 different cations and 16 different anions. The calculated ion-specific equation coefficients describe the experimental gas-to-IL and water-to-IL partition coefficient data to within 0.123 and 0.149 log units, respectively.

Experimental and predicted solubilities of 3,4-dichlorobenzoic acid in select organic solvents and in binary aqueous–ethanol mixtures

Experimental solubilities are reported for 3,4-dichlorobenzoic acid dissolved in methyl butyrate, and in 16 alcohol, 5 alkyl acetate, 5 alkoxyalcohol and 6 ether solvents. Solubilities were also measured in nine binary aqueous–ethanol solvent mixtures at 298.15 K. The measured solubility data were correlated with the Abraham solvation parameter model. Mathematical expressions based on the Abraham model predicted the observed molar solubilities to within 0.12 log units.

Correlation of Solute Transfer Into Toluene and Ethylbenzene from Water and from the Gas Phase Based on the Abraham Model

Experimental data have been compiled from the published literature on the partition coefficients of solutes and vapors into ethylbenzene and toluene at 298 K. The logarithms of the water-to-ethylbenzene and water-to-toluene partition coefficients, log P, and gas-to-ethylbenzene and gas-to-toluene partition coefficients, log K, were correlated with the Abraham solvation parameter model. The derived mathematical expressions described the observed log P and log K data for the two aromatic hydrocarbon solvents to within average deviations of 0.13 log units or less.