Experimental solubilities are reported for 3,5-dinitro-2-methylbenzoic acid dissolved in 14 alcohol and 5 alkyl acetate solvents at 298.15 K. The measured solubility data were mathematically correlated with the Abraham solvation parameter model. The solute descriptors that were calculated for 3,5-dinitro-2-methylbenzoic acid describe the experimental molar solubility data to within an overall average standard deviation of 0.081 log units.

Data have been compiled from the published literature for the partition coefficients of solutes and vapors into anhydrous tetrahydrofuran and 1,4-dioxane. The logarithms of the water-to-ether partition coefficients, log 10 P , and gas-to-ether partition coefficients, log 10 K , were correlated with the Abraham solvation parameter model. The derived correlations described the observed log 10 P and log 10 K values for both ether solvents to within average standard deviations of 0.16 log 10 units or less. The log 10 P correlation for tetrahydrofuran was extended to include the partition of ions by inclusion of a cation-solvent and an anion-solvent term.

Data have been compiled from the published literature on the partition coefficients of solutes and vapors into anhydrous sulfolane. The logarithms of the water-to-sulfolane partition coefficients, log P. and gas-to-sulfolane partition coefficients, log K, were correlated with the Abraham solvation parameter model. The derived correlations described the observed log P and log K values for solutes dissolved in sulfolane to within average standard deviations of 0.14 log units or less. The log P correlation was extended to include the partition of ions by inclusion of a cation-solvent and an anion-solvent term. (C) 2011 Elsevier B.V. All rights reserved.

Data have been assembled from the published literature on the enthalpies of solvation for 91 organic vapors and gaseous solutes in 2-propanol, for 73 gaseous compounds in 2-butanol, for 85 gaseous compounds in 2-methyl-1-propanol and for 128 gaseous compounds in ethanol. It is shown that an Abraham solvation equation with five descriptors can be used to correlate the experimental solvation enthalpies to within standard deviations of 2.25 kJ/mole, 1.99 kJ/mole, 1.73 kJ/mole and 2.54 kJ/mole for 2-propanol, 2-butanol, 2-methyl-1-propanol and ethanol, respectively. The derived correlations provide very accurate mathematical descriptions of the measured enthalpy of salvation data at 298 K. which in the case of ethanol span a range of 136 kJ/mole. Division of the experimental values into a training set and a test set shows that there is no bias in predictions, and that the predictive capability of the correlations is better than 3.5 kJ/mole. (C) 2011 Elsevier B.V. All rights reserved.

Experimental data have been compiled from the published literature on the partition coefficients of solutes and vapors into o-xylene, m-xylene and p-xylene at 298 K. The logarithms of the water-to-xylene partition coefficients, log P. and gas-to-xylene 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 three xylene isomers to within average deviations of 0.14 log units or less. (C) 2011 Elsevier B.V. All rights reserved.

Chromatographic retention data were measured for a wide range of organic solutes on 1-butyl-1-methylpyrrolidinium thiocyanate ([BMPyrr]+[SCN]−), hexyl(trimethyl)ammonium bis((trifluoromethyl)sulfonyl)imide ([HexM3Am]+[(Tf)2N]−), and 1-propyl-1-methylpiperidinium bis((trifluoromethyl)sulfonyl)imide ([PMPip]+[(Tf)2N]−) stationary phases at 323 and 353 K. The measured retention factors were combined with published infinite dilution activity coefficient and gas-to-water partition coefficient data to yield gas-to-anhydrous ionic liquid (IL) partition coefficients and water-to-anhydrous IL partition coefficients. Both sets of partition coefficients were analyzed using the Abraham model. The derived Abraham model correlations describe the observed gas-to-IL and water-to-IL partition coefficient data to within average standard deviations of 0.116 and 0.156 log10 units, respectively.

Gas-to-liquid and water-to-liquid partition coefficients have been compiled for more than 2800 different solute–solvent combinations. Solutes considered include acyclic monofunctional alkanols, dialkyl ethers, alkyl alkanoates and alkanones, as well difunctional alkoxyalcohols. Both sets of partition coefficients were analyzed using the Abraham solvation parameter model with fragment-specific equation coefficients. The derived equations correlated the experimental gas-to-alcohol and water-to-alcohol partition coefficient data to within 0.15 and 0.16 log units, respectively. The fragment-specific equation coefficients that have been calculated for the CH3, CH2, CH, C, OH, O, C(O)O and CO fragment groups can be combined to yield expressions capable of predicting the partition coefficients of solutes in other anhydrous alkanol, dialkyl ether, alkyl alkanolate, alkanone and alkoxyalkanol solvents.

Chromatographic retention measurements were measured for a wide range of solutes on 1-methy1-3-ethylimidazolium tris(pentafluoroethyl)trifluorophosphate, ([MEIm](+)[FAP](-)), and 1-(3-hydroxypropyl)pyridinium tris(pentafluoroethyl)trifluorophosphate, ([1-PrOHPy](+)[FAP](-)), stationary phases at 323 K. The measured retention factors were combined with published infinite dilution activity coefficient, gas solubility data and retention factor data to yield gas-to-anhydrous ionic liquid (IL) partition coefficients at 323 K for 2349 different solute-IL combinations. The compiled partition coefficient data were analyzed using the ion-specific equation coefficient and the functional group contribution versions of the Abraham salvation parameter model. Ion-specific equation coefficients were calculated for 25 cations and 14 anions. In addition, values were calculated for 14 cation functional groups and 14 anions. The calculated ion-specific equation coefficients and calculated functional group values described the experimental 323 K partition coefficient data to within standard deviations of 0.10 and 0.13 log units, respectively. (C) 2010 Elsevier B.V. All rights reserved.