%A NIE Chang-Ming*^{1,2}, DAI Yi-Min, WEN Song-Nian, LI Zhong-Hai^{2}, ZHOU Cong-Yi, PENG Guo-Wen
%T Topological Homologous Regularity for Additive Property of Alkanes
%0 Journal Article
%D 2005
%J Acta Chimica Sinica
%R
%P 1449-1455
%V 63
%N 15
%U {http://sioc-journal.cn/Jwk_hxxb/CN/abstract/article_334202.shtml}
%8 2005-08-15
%X A group of topological index* ND* data based on distance matrix and branch vertex of atoms in a molecule was put forward by colouring atoms in the molecular graph with equilibrium electronegativity, which appears unique to the molecular structures and has excellent structural selectivity. The results show that the additive property *P* of alkanes could be described as follows: *P*＝*aND*_{1}＋*bND*_{2}＋*cND*_{3}＋*d* by study on the additive property of alkanes and their homologous regularity using topological index *ND*, where *a*, *b*, *c *and *d* are conferred as constants. The calculated values conform very much to the experimental ones of gas enthalpy (Δ_{f}*H*^{ө}_{m}), entropy (Δ_{f}*S*^{ө}_{m}), Gibbs energy (Δ_{f}*G*^{ө}_{m}) of 85 alkanes and molar volume (*V*_{m}), molar refraction (*R*_{m}) of 67 alkanes from literatures using the formula above.