Transferable step potentials for amines, primary amides, ketones, thiophenes, phosphates, and chlorinated hydrocarbons

The transferable step potentials for amines, primary amides, ketones, thiophenes, phosphates, and chlorinated hydrocarbons were analyzed. Transferable step potentials were characterized based on vapor pressure and liquid density from experimental data. It was found that the interaction site diameter and the depths of the inner and outer wells of the potential characterize the transferable multi-step potentials. The vapor pressures were correlated to within ∼15% error and liquid densities to 4% error with reduced temperatures generally extending to 0.45.