Prediction of Vapor Pressures from Self-Solvation Free Energies Calculated by the SM5 Series of Universal Solvation Models

摘要

The SM5.4, SM5.2R, and SM5.0R solvation models are applied to calculate the vapor pressure of 156 molecules. This provides a test of the solvation models, but-even more so-it provides a useful scheme for estimating the vapor pressure at 298 K of any organic molecule for which a few standard descriptors are known or can be estimated.