摘要
构造了两个新的拓扑指数 ,将此拓扑指数及碳原子数与 1 -烯烃 48个分子的沸点、密度、折光率等物理性质相关联 ,提出一个通用公式 :P =ANa+BXbv+CIcx+D ,用回归方法找到计算此三类物理性质的经验公式 .结果表明 。
The physical properties such as boiling points, densities and indices of refraction of alkenes have been analyzed. Two topological indices have been constructed. The physical properties are correlated with the topological indices and a general empirical equation is proposed as follows: P=A N a+B X b v+C I c x+D . Regression analyses have given the calculated results. It is found that the three properties of alkenes have excellent correlativity with the topological indices.
关键词
烯烃
物理性质
拓扑指数
回归分析
alkene
physical property
topological index
regression.
