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Citation: Zheng Kang-Cheng, Kuang Dai-Bin, Yun Feng-Cun, He Feng. New Method for Calculating the Standard Enthalpies of Fomation of Alkane Isomers[J]. Acta Physico-Chimica Sinica, ;2000, 16(02): 133-137. doi: 10.3866/PKU.WHXB20000208 shu

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

1.
School of Chemistry and Chemical Engineering,Zhongshan University,Guangzhou 510275

Received Date: 28 May 1999
Available Online: 15 February 2000

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.
- Inductive effect,
- Sum of inductive polarities,
- Alkane isomer,
- Standard enthalpy of formation
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