拓扑指数Gm与饱和一元醇物理化学性质的相关性研究

Studying the Relationship between Topological Ondex Gm and Physicochemical Properties of Saturated Monobasic Alcohol

提出一种新的拓扑指数Gm,建立计算饱和一元醇物理化学性质的定量公式,预测了含10个碳原子以内的饱和一元醇的原子化热△Ha,气相生成热△Hgi,摩尔折射Rm,蒸发热△Hv,摩尔磁化率Xm,沸点B.P.(℃)和分配系数logP等7项物理化学性质.

We developed a new topological index （Gm） , with this , a quantitative formrla for calculating physicochemical properties Y of saturated monobasical is obtained, i.e. Y = a ＋ b x Gm. Where a, b are coefficient,and constant for the physicochemical property. Hence we can take formula to predict seven physicochemical properdes of △Ha, △Hgi, Rm, △Hv, Xm, B.P. （℃） and logP.