Topological index and thermodynamic properties. II. Analysis of the topological factors on the absolute entropy of acyclic saturated hydrocarbons.

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概要

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• The absolute entropy of acyclic saturated hydrocarbons is found to be well correlated linearly with the logarithm of the topological index (<I>Z</I><SUB>G</SUB>) of the graph of the carbon atom skeleton as, <I>S</I>°=<I>a</I>log<I>Z</I><SUB>G</SUB>+<I>b</I>, excpet for sterically overcrowded and highly symmetrical molecules. This relation is improved by taking the symmetry factor σ into account as, <I>S</I>°=<I>a</I>log<I>Z</I><SUB>G</SUB>+<I>b</I>+<I>c</I>logσ. The physical meaning of these relations is clarified by analyzing the mathematical properties of <I>Z</I><SUB>G</SUB> and the rotational partition function proposed by Pitzer.

• 公益社団法人 日本化学会の論文

著者

• Hosoya Haruo

  Department Of Chemistry Faculty Of Science Ochanomizu University

• HOSOYA Haruo

  Department of Chemistry, Ochanomizu University

• Narumi Hideyuki

  Department of Chemistry, Hokkaido University

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