Acta Phys. -Chim. Sin. ›› 2000, Vol. 16 ›› Issue (02): 133-137.doi: 10.3866/PKU.WHXB20000208

• ARTICLE • Previous Articles     Next Articles

New Method for Calculating the Standard Enthalpies of Fomation of Alkane Isomers

Zheng Kang-Cheng, Kuang Dai-Bin, Yun Feng-Cun, He Feng   

  1. School of Chemistry and Chemical Engineering,Zhongshan University,Guangzhou 510275|Section of Chemistry,Zhongshan Medical University,Guangzhou 510089
  • Received:1999-05-28 Revised:1999-07-26 Published:2000-02-15
  • Contact: Zheng Kang-Cheng

Abstract:

Based on the principle of the sum of inductive polarity vectors proposed by us, we have designed a new method containing an energy term associated with the sum of inductive polarity vectors for the calculations of the standard enthalpies of formation. Compared with other methods, the new method has a higher calculation accuracy, it contains less calculation parameters, every term has a definite physical meaning. It can also be extended to calculate theoretically the standard enthalpies of fomation of alkane derivatives with some hetero atoms on a carbon atom.

Key words: Inductive effect, Sum of inductive polarities, Alkane isomer, Standard enthalpy of formation