Group electronegativities, which take into account the influence of chemical environment, are calculated. Equilibrium electronegativity is defined on the basis of group electronegativity. Using relative bond lengths and equilibrium electronegativies, we create a novel semiempirical topological descriptor, Nt. A quantitative structure-property relationship (QSPR) model is subsequently developed using Nt together with path numbers P2 and P3, to accurately predict thermodynamic properties of organic compounds. Excellent correlation coefficient values demonstrate the accuracy of the method. The co...
