烯烃的分子距离边数矢量(μ)及沸点的估计与预测  

Estimation and Prediction for Normal Boiling Point of Alkenes Based on a Novel Molecular Distance edge Vector(μ)

作　　者：尹情胜[1] 刘树深[1] 李志良[1] 

机构地区：[1]桂林工学院应用化学系

出　　处：《广西科学》1998年第4期52-54,共3页Guangxi Sciences

摘　　要：基于双键相对于单键键长的大小，提出了烯烃的分子距离边数（ＭＤＥ）矢量（μ矢量）；进而通过多元线性回归方法建立μ矢量与烯烃沸点之间的关系模型并进行预测，计算沸点与实验值之间的均方根误差仅为３．７８Ｋ，相关系数为０．９９９３。A novel molecular distance edge vector (MDE) of alkenes,called μ vector,was proposed based on the ratio of single bonds length to double bonds.Multiple linear regression was used to develop a linear model between μ vector and the normal boiling point of alkenes with a high precision (mean squares error,MSE=3 78 K) and a good correlation (r=0 999 3).

关 键 词：分子距边矢量 烯烃 沸点 建模 

分 类 号：O623.123[理学—有机化学]