A novel connectivity index for thermodynamic properties and boiling points research of alkanes

A novel connectivity index mQ based on the adjacency matrix and characteristic value (q i) of carbon atom is derived in this paper. 0Q, 1Q among mQ are very easy to be calculated and have good discriminationg between isomeric alkanes. The properties such as the standard enthalpies of formation, the standard entropies, the standard free energies of formation and boiling points of 85 alkanes are correlated with 0 Q , 1Q of carbon atoms well, and these properties are good models (R0 99). It is concluded that the index bears good structure selectivity and property relativity compared with Randic's mX.