MODELING OF BOILING POINTS OF HYDROCARBON COMPOUNDS

A method for calculation of boiling points of hydrocarbons is described. The method is based on the topological index of Wiener improved with additional topological descriptors. The descriptor values were calculated with in-house developed software JBSMM. Basic boiling point model is a quadratic function of the logarithm of Wiener index. The coefficient values are calculated by means of linear regression applied for a set of hydrocarbon compounds. Test results are presented and discussed.