【摘要】 对饱和直链烷烃分子间相互作用影响因素进行了分析,认为烷烃分子之间和分子内的氢原子之间的相互作用更强,由此提出了一个新的拓扑指数———拓扑指数M,并给出了M的计算方法.用此拓扑指数对C2~C8的39种饱和烷烃的结构选择性进行了讨论,对其常压沸点、常沸点汽化热进行了关联,关联结果非常良好,具有很好的预测能力.更多还原

【Abstract】 It is believed that hydrogen atoms are more important to reciprocity in and between alkane’s molecules than carbon atoms,and a new topological index M and its calculation means are put forward in this paper.Structure selectivity of 39 alkanes from C₂ to C₈ is discussed and their boiling point and evaporation heat are related with the topological index M,which helps to the forecast the boiling point and evaporation heat with M.更多还原