摘要
根据分子结构的特,发和分子性能的结构基础,探讨了烯烃的密度与折光指数之间的定量关系,发现烯烃的密度与折光指数的平方呈良好的线性关系,据此发展了一种密度和折光指数的相互预测方法(用折光指数预测密度或根据密度预测折光指数).对203种烯烃的计算结果表明,预测值与实验值的一致性令人满意,对密度和折光指数和预测结果的平均误差分别为0.43%和0.15%.
Based on the characteristics of molecular structure and structural basis of molecular property, the quantitative relation between dens1ty and refractlve index of alkenes was studied and an equation with only one constant was proposed to predict the refractive indexes from the densities or to predict the densities from the refractive indexes of alkenes. The results showed that the predicted values of densities and refractive indexes were in good agreement with the experimental data,and the mean relative deviations were 0. 43% and O. 15%for density and refractive index respectively.
出处
《商丘师范学院学报》
CAS
1998年第S4期39-42,共4页
Journal of Shangqiu Normal University
基金
河南省优秀青年骨干教师资助
关键词
烯烃
折光指数
密度
计算方法
alkene density
refractive index
quantitative relation
predicting method