链烷烃的物理化学性质与分子拓扑指数之间的关系

The Correlation Berween Thermodynamic Properties and A New Molecular Topological Index of Alkanes

一种分子连接性指数和维纳指数以及碳原子个数与链烷烃的标准生成焓,标准生成熵具有良好的性质相关性,相关系数大于0.99.

A new connectivity indes has been defined. The properties such as the standard enthalpies of formation, the standard entropies of alkanes were correlated with the connectivity indexes and the number of carbon atoms. The correlation coefficient is excellent, the calculated value of the two thermodynamic properties of alkanes are in excellent agreement with the experimental values.