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路径数p1 、拓朴指数s1 和s2 等参量 ,是表征一元脂肪胺分子大小、支化度和形状等结构特征的重要参量。本文提出计算一元脂肪胺物理化学性质p的定量公式为 : p =a0 +a1 p1 +a2 s1 +a3s2 (1)预测了 10个碳原子以内的一元脂肪胺的摩尔折射Rm、分配系数logP、折光率n2 0 D、密度ρ(g·cm- 3)、沸点B .P .(0 K)和在水溶液中的pkb 值等 6项物理化学性质
Path number p1, topological index s1 and s2 and other parameters, is an important parameter to characterize the structural characteristics of the molecular weight, degree of branching and shape of the monobasic fatty amine. In this paper, the formula for calculating the physico-chemical properties of monovalent aliphatic amines p is: p = a0 + a1 p1 + a2 s1 + a3s2 (1) Predicts the molar refraction Rm, partition coefficient logP, refractive index 6 physico-chemical properties such as the rate of n 2 0 D, the density ρ (g · cm -3), the boiling point B .P. (0 K) and the pkb value in aqueous solution