Mass-modified wiener indices and the boiling points for lower chloroalkanes

Abstract

A criterion for obtaining the chemical graph of a chloroalkane has been proposed by replacing the edge vertex containing CH3 group with covalently bonded chlorine atom. By introducing α as the group mass ratio of Cl to CH3 as well as a molecular mass factor M = M(α,n,nC), a mass-modified Wiener index has been proposed as Wm = MPW where W is the Wiener index obtainable from the chemical graph, whilst n and nC correspond to the number of chlorine and carbon atoms respectively in the chloroalkane molecule. The mass factor is defined in such a manner that Wm = W for alkanes in order to maintain consistency. Numerical trials on the boiling point versus Wiener index plane reveal that when P = 2 the chloroalkane curve shifts such that it coincides with the alkane curve. In view of the highly established empirical equation for alkanes it is suggested herein that, instead of obtaining separate empirical curves for haloalkanes, there is a good potential for boiling points of haloalkanes be obtainable based on the philosophy of mass factor in order to take advantage of the highly established empirical models of alkanes.