摘要
本文用图论方法探讨了脂肪酮的沸点与分子结构之间的关系，提出一个结构基础明确的定量关系。对脂肪酮的计算结果表明，沸点计算值都接近实验值，平均误差０．４３％。应用本文定量关系，不但能够预测脂肪酮的沸点，而且可以合理表征物质结构与性能之间的关系。
The relationship between the boiling points of aliphatic. ketone and itsmolecular structure is studied with the graph theory for the first time, based on the characteristics of molecular structure, and a quantitative relation is developed which can be used to predict the boiling points Tb of aliphatic katones where λand ai ate constants,Wk,Ps .S_1and S_2 are respectively the first.second, third and fourth order structural information indexes defined in this paper. The results calculated show that the predicted values of boiling points agree with the experimental values properyl. and the average relative deviation is 0.43%for 49 kinds of al iphatic ketones
出处
《赣南师范学院学报》
1994年第5期49-53,共5页
Journal of Gannan Teachers' College(Social Science(2))
基金
河南省优秀中青年骨干教师基金
关键词
结构性能关系
结构信息指数
定量关系
沸点
脂肪酮
structure-property relationship.structural in formation index,quantitative relation, boiling point, aliphatic ketone
