This paper, using the number N of carbon atoms and Wiener index W, P as structural parameters, established a quantitative relationship formula between boiling points and its molecular structure of alkane isomers. The boiling points of 76 branched chain alkanes were calculated.
以碳原子数N和Wiener指数W,P为结构参数,建立了烷烃同分异构体的沸点与其分子结构间的定量关系式,用此式计算了76个支链烷烃的沸点。
Based on the Wiener index ( W), a harmonic topological index ( H) is proposed. H has been shown good structure selectivity, and appears uniqueness for 149 alkanes from ethane to decane.
基于Wiener指数(W)建立调和拓扑指数(H),该指数对乙烷至癸烷的149种烷烃呈现惟一性表征。
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