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
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.
出处
《化学研究》
CAS
2002年第2期28-30,34,共4页
Chemical Research
基金
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 )
