| 脂肪胺的沸点与分子结构关系的拓扑化学研究 |
| |
| 引用本文： | 王克强. 脂肪胺的沸点与分子结构关系的拓扑化学研究[J]. 计算机与应用化学, 1995, 12(2): 99-103 |
| |
| 作者姓名： | 王克强 |
| |
| 作者单位： | 洛阳师范专科学校 |
| |
| 基金项目： | 河南省优秀中青年骨干教师基金 |
| |
| 摘 要： | 根据分子结构的特点，用的拓扑方法探讨了脂肪胺的沸点与分子结构之间的关系，提出一个既能合理表征脂肪胺结构性能关系，又能预测沸点的定量关系式。对１０２种脂肪胺的计算结果表明，沸点预测值与实验的一致性令人满意，平均误差０．４２２％。
|
| 关 键 词： | 结构性能关系 拓扑指数 分子结构 脂肪胺 沸点 |
STUDY ON THE RELATIONSHIP BETWEEN BOILING POINTS OF ALKYL AMINE AND ITS MOLECULAR STRUCTURE BY CHEMICAL TOPOLOGY |
| |
| Wang Keqiang. STUDY ON THE RELATIONSHIP BETWEEN BOILING POINTS OF ALKYL AMINE AND ITS MOLECULAR STRUCTURE BY CHEMICAL TOPOLOGY[J]. Computers and Applied Chemistry, 1995, 12(2): 99-103 |
| |
| Authors: | Wang Keqiang |
| |
| Abstract: | An approach based on the chemical topology is used to study the relationship between boiling points of alkyl amine and its molecular structure.A quantitative relation is developed which can be used to characterize the structure-property relationship rationally and predict the boiling points of alkyl amines.The calculated results show that the Predicted values of boiling points are in good agreement with the experimental data,and the mean relative deviation is 0.422% for 102 alkyl amines.The quantitative relation developed in this paper can not only predict the boiling points of alkyl amine,but also help to understand the structure-property relationship of matter. |
| |
| Keywords: | Structure-property relationship Topological index Quantitative relation Molecular structure Alkyl amine Boiling point |
| 本文献已被 CNKI 维普 等数据库收录！ |
