New Group-Contribution Method for Predicting Temperature-Dependent Properties of Pure Organic Compounds

A new method for predicting temperature-dependent properties of organic compounds is preseInted. It is a combination of a group-contribution method with the novel non-random hydrogen-bonding (NRHB) equation-of-state theory. First-order and second-order groups are used to predict the three characteristic scaling constants of the NRHB model. With these scaling constants, one is able to estimate/predict temperature-dependent properties of pure organic compounds such as vapor pressure, liquid density, heat of vaporization and more, in a wide range of temperatures. The influence parameter, κ, which is needed for the estimation of surface tension at any given temperature, is also predicted by the same group-contribution method.