【摘要】 对饱和链烃化合物的碳原子总数、氢原子总数、分子结构的路径数P2和分子连接性指数1X与标准摩尔生成焓进行了研究,结果表明:分子连接性指数1X与标准摩尔生成焓具有显著的相关性,相关系数R为0.9989;分子连接性指数1X与其他热力学性质也具有显著的相关性,从而可以较为准确地估算和预测饱和链烃类化合物的热力学性质.更多还原

【Abstract】 The article has studied the total number of nitrogen、 hydrogen、 path and molecular connectivity index 1X of the standard formation enthalpy of alkanes.It proves that molecular connectivity index 1X bears pronounced correlation with the standard formation enthalpy.The parameter of the standard formation enthalpy is 0.9989.The molecular connectivity index 1X bears pronounced correlation with other physical and chemical properties.So the method can be applied to estimate and calculate the thermodynamic properties of alkanes.更多还原