Prediction of Vapor Pressures from Self-Solvation Free Energies Calculated by the SM5 Series of Universal Solvation Models — Paul Winget (2000) | RDL Network
Prediction of Vapor Pressures from Self-Solvation Free Energies Calculated by the SM5 Series of Universal Solvation Models
Article 2000 en
Authors
PW
Paul Winget
GH
Gregory D. Hawkins
CC
Christopher J. Cramer
Abstract
1 min read
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, buteven more soit 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.
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