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有机化学
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有机化学 ›› 2003, Vol. 23 ›› Issue (10): 1125-1130. 上一篇    下一篇

研究论文

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

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605

被引次数

30 | 6

用N，N'，P，q,n等分子参数表征链烷的分子大小、取代参量和相邻取代基的 相互作用，并以其为独立参量，通过回归方法建立模型来预测链烷的某些物理化学 性质，对1-9个碳原子链烷的原子化焓、标准生成焓、汽化焓等理化性质的预测表 明该模型的原理简单、方法实用、结果可靠。其预测值民实验值吻合良好，且置信 度高达99.5%。

关键词: 烷烃, 理化性质, 取代基效应, 相互作用

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

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