Abstract

A new group contribution method to evaluate the critical properties (temperature, pressure and volume) is presented and applied to estimate the critical properties of biomolecules. Similar to other group contribution methods, the one proposed here divides the molecule into conveniently defined groups and evaluates the properties as the sum of the different contributions according to a specified model equation for each of the properties. The proposed method consists of a one-step calculation that uses simple model equations and does not require additional data besides the knowledge of the structure of the molecule, except for isomers. For these substances the normal boiling temperature, the molecular mass and the number of atoms in the molecule are used to distinguish among isomers. The method is applicable to high molecular weight compounds, as most biomolecules and large molecules present in natural products.