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In previous works, we have developed methods for the prediction of gas to water partition coefficients at 298K, logK w (298), and for the prediction of enthalpies of transfer from the gas phase to water, that is enthalpies of hydration, ΔHw°, using the set of Abraham descriptors. In the present work we collect data on heat capacities of hydration, ΔCpw, for 321 varied compounds and obtain...
Data have been assembled on gas to water partition coefficients for 374 compounds at 310K. It is shown that an Abraham solvation equation with five descriptors can be used to correlate 350 such values, as logK W (310), with R 2 =0.994 and S.D.=0.154log units. Division into a training set and a test set shows that there is no bias in predictions and that predictive capability of the...
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