The relation of physical properties of alkanes to connectivity indices: a molecular explanation

Abstract

Additive schemes for calculating the molar volumes and heats of vaporization of liquid alkanes from increments characteristic of the numbers and different types of carbon atoms (primary, secondary, tertiary, quaternary), of the mole fraction Z_g of gauche conformations, and (where necessary) of other steric factors have been developed. It is suggested that schemes for correlating physical properties of alkanes with connectivity indices ^mχ_t are successful because these indices are also correlated with numbers and types of carbon atoms and with Z_g.