摘要
本文用结构信息法探讨了烷基苯的密度与分子结构的关系，提出一个既能描述烷基苯密度变化规律、又能准确预测烷基苯密度的定量关系式．结果表明，烷基苯的密度计算值都很接近实验值，平均误差仅０．００５％．应用本文定量关系，不仅能够预测烷基苯的密度，而且有助于揭示物质结构与性能关系之间的奥秘．
The relationship between densities of normal alkyl benzenes and its molecular structure is studied with the structural information method, and a quantitative relation is developed which can be used to predict the densities of liquid nodal alkyl benzenes at 298K. The results calculated show that the pred iCied values agers satisfactorily with the experimental values, and the average relative deviation is 0.005% for 37 kinds of nounal alkyl beames. Using the quantitative relation developed in this paper, the regulation in densitieS of nounal alkyl benanes can be described correctly, and the densities of normal alkyl benzenes can be predicted with accuracy.
出处
《延边大学学报（自然科学版）》
1994年第2期38-41,共4页
Journal of Yanbian University（Natural Science Edition）
关键词
密度
烷基苯
结构信息法
structure-property relationship,structural information index,quantitative relation,density,normal alkyl benzene
