| 乙烷氟氯衍生物常压沸点与结构之间的定量关系 |
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| 引用本文： | 李艳青,李鹏鹏,王松林,余训民.乙烷氟氯衍生物常压沸点与结构之间的定量关系[J].化学研究,2002,13(2):28-30,34. |
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| 作者姓名： | 李艳青 李鹏鹏 王松林 余训民 |
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| 作者单位： | 荆州师范学院,化学系,湖北,荆州,434100 |
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| 基金项目： | 湖北省自然科学研究基金项目 (2 0 0 0 1A10 0 6)，荆州师范学院 2 0 0 1年学生自然科学研究基金项目 (2 0 0 0 1X0 2 ) |
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| 摘 要： | 构建了一个新的自相关拓扑指数0 Lk,并研究了乙烷氟氯衍生物的常压沸点Tb 与其基团零价自相关指数0 Lk 之间的定量关系 ,给出了相关方程 ,相关系数 (R =0 .96 33)为良好级 .估算的 36个乙烷氟氯衍生物的常压沸点与实验值相吻合 .还对一些没有常压沸点的乙烷氟氯衍生物进行了预测 ,预测的沸点数据指出CHF2 CHF2是CFC3 可能的代用品
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| 关 键 词： | 拓扑指数 乙烷氟氯衍生物 沸点预测 CFC3代用品 |
| 文章编号： | 1008-1011(2002)02-0028-03 |
The Quantitative Relationship between the Boiling Points of Fluorine-Chlorine-Substituted Ethanes under Normal Pressure and Their Sturcture |
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| LI Yan_qing,LI Peng_peng,WANG Song_lin,YU Xun_min.The Quantitative Relationship between the Boiling Points of Fluorine-Chlorine-Substituted Ethanes under Normal Pressure and Their Sturcture[J].Chemical Research,2002,13(2):28-30,34. |
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| Authors: | LI Yan_qing LI Peng_peng WANG Song_lin YU Xun_min |
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| Institution: | LI Yan_qing,LI Peng_peng,WANG Song_lin,YU Xun_min * |
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| Abstract: | A new relative Topology index ( 0 L k ) was constructed and research boiling point ( T b) of Fluorine_chlorine_substituted ethanes under normal pressure and the relation between itself and relative parameter 0 L k , the quantitative equation is offered and the relative term (R=0.9633) is the better grade. The boiling points ( T b) algorithmic of 36 fluorine_chlorine_substituted ethanes under normal pressure is the same as experimented databases. We can also predict some boiling points of fluoring_chlorine_substituted ethanes which have not been discovered. The improved algorithm is applied in prediction of boiling points of the fluorine and chlorine_substituted ethane derivatives. Some possible alternatives for CFC 11 , CFC 12 and CFC 13 can be found with the predicted boiling point values. |
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| Keywords: | topology index fluorine_chlorine_substituted ethane boiling point prediction substitute for CFC 3 |
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