Topological Study on Boiling Point of Fatty Alcohol

Chinese Journal of Organic Chemistry ›› 2004, Vol. 24 ›› Issue (4): 403-408. Previous Articles Next Articles

脂肪族饱和一元醇沸点的拓扑研究

沐来龙^*, 冯长君

徐州师范大学化学系徐州 221006

收稿日期:2003-12-03 修回日期:2003-08-21 接受日期:2003-10-16 发布日期:2022-09-19
基金资助:
江苏省高校自然科学基金(No. 02KJB150008)资助项目

Topological Study on Boiling Point of Fatty Alcohol

MU, Lai-Long^*, FENG, Chang-Jun

Department of Chemistry, Xuzhou Normal University, Xuzhou 221009

Received:2003-12-03 Revised:2003-08-21 Accepted:2003-10-16 Published:2022-09-19
Contact: *E-mail: mull@xznu.edu.cn

Abstract

On the basis of adjacent matrix and edge valence (f_i), a novel connectivity index (^mF) was developed. The ⁰F, L (the distanceparameter of fatty alcohol) and δ (the class parameter of fatty alchol) have good correlation withthe boiling points (T_b) of 119 fatty alcohols. A good model was obtained: ln(724-T_b)=6.07010-0.05718⁰F-0.000371L-0.07549δ^-1(n=119), R=0.9974. The results showed that the boiling points of fatty alcohols can be forecasted more accurately with the model.

Key words: connectivity index of edge valence, fatty alcohol, boiling point, quantitative structure-property relationship

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MU, Lai-Long, FENG, Chang-Jun. Topological Study on Boiling Point of Fatty Alcohol[J]. Chinese Journal of Organic Chemistry, 2004, 24(4): 403-408.

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脂肪族饱和一元醇沸点的拓扑研究

Topological Study on Boiling Point of Fatty Alcohol

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