Chin. J. Org. Chem. ›› 2003, Vol. 23 ›› Issue (10): 1125-1130. Previous Articles     Next Articles

链烷的物理化学性质及其分子参数的相关性研究

李良超;吴廷华;胡德聪;杨远南   

  1. 浙江师范大学化学系物理化学研究所;荆州师范学院化学系
  • 发布日期:2003-10-25

Studies on Correlation between the Physico-Chemical Properties and Molecular Parmaeters of Alkanes

Li Liangchao;Wu Tinghua;Hu Decong;Yang Yuannan   

  1. Institute of Physical Chemistry, Department of Chemistry, Zhejiang Normal University;Department of Chemistry, Jingzhou Normal College
  • Published:2003-10-25

Molecular parameters of alkanes (N, N', P, q and n ) can be used to characterize the size, the substitute parameters and the effect of neighboring substituent. According to N, N', P, q and n using as separate parameter, some physico-chemical properties for alkanes were predicted by regression method. Predicting values of atomization enthalpies, formation enthalpies, aporization enthalpies, molar volume and molar refrangibility are excellently consistent with the literature ones for alkanes that have 1~9 carbon atoms. The results showed that the model had the advantage of principle simple, method practicality and results credibility, and confidence degree high to 99. 5%.

Key words: ALKANE, PHYSICO-CHEMICAL PROPERTIES, SUBSTITUENT EFFECT, INTERACTIONS

CLC Number: