Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Toluene and Carbon Tetrachloride Based on the Abraham Model

Abstract

Data have been assembled from the published literature on the enthalpies of solvation for more than 100 compounds in toluene and carbon tetrachloride. 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 2.19 and 2.070 kJ⋅mol−1 for toluene and carbon tetrachloride, respectively. The derived correlations provide very accurate mathematical descriptions of the measured enthalpy of solvation data at 298 K that in the case of carbon tetrachloride span a range of 105 kJ⋅mol−1. Division of the experimental values into a training set and a test set shows that there is no bias in the predictions, and that the predictive capability of the correlations is better than 2.5 kJ⋅mol−1.