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Citation: Ni Cai-Hua, Feng Zhi-Yun. Studies on the Correlations between Lnformation Lndices and the Thermodynamic Properties of Alkanes[J]. Acta Physico-Chimica Sinica, ;1996, 12(05): 440-445. doi: 10.3866/PKU.WHXB19960511 shu

Studies on the Correlations between Lnformation Lndices and the Thermodynamic Properties of Alkanes

Ni Cai-Hua ,
Feng Zhi-Yun

1.
Department of Chemistry,Jingzhou Teachers' College,Jingzhou City 434100

Received Date: 14 August 1995
Available Online: 15 May 1996

Two topological information indices were constructed based on Randic and Wiener indices, and the values of topological information indices for 85 alkanes were calculated. The thermodynamic properties such as the standard enthalpies of formation, the standard entropies and the standard free energies of formation for these alkanes were also correlated with these topological and information indices. It is found that the thermodynamic properties calculated for both gaseous and liquid states of the 85 alkanes are in excellent agreement with the experimental values through the regression analysis.
- Topological information index,
- Thermodynamic property,
- Alkane
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