Data have been assembled on the enthalpies of solvation of 373 compounds in water and 138 compounds in 1-octanol. 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 3.68 kJ/mol (water) and 2.66 kJ/mol (1-octanol). The derived correlations provide very accurate mathematical descriptions of the observed enthalpies of solvation, which in the case of water span a range of 150 kJ/mol. 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 4 kJ/mol.

No abstract

No abstract

No abstract

Data have been assembled from the published literature on the enthalpies of solvation for more than 100 compounds dissolved in methanol, ethanol, and 1-butanol. It is shown that an Abraham solvation equation with five descriptors can be used to correlate the experimental enthalpies of solvation to within Standard Deviations (SDs) of 2.70 kJ/mol (methanol), 2.53 kJ/mol (ethanol), and 2.34 kJ/mol (1-butanol). The derived correlations provide very accurate mathematical descriptions of the measured enthalpy of solvation data at 298 K, which in the case of methanol span a range of about 105 kJ/mol. 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 3.0 kJ/mol.