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   

  1. 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   

  1. 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

On the basis of adjacent matrix and edge valence (fi), 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 (Tb) of 119 fatty alcohols. A good model was obtained: ln(724-Tb)=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