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Prediction of the vaporization enthalpy based on modified Randič indices. I. Monohydric alcohols

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Abstract

The vaporization enthalpy of monohydric alcohols with different structures under normal conditions is calculated using a modified Randič method with an error comparable to the experimental one. The energy of hydrogen bonds in alcohols is determined and shown to be constant and independent on the alcohol structure.

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Authors and Affiliations

  1. Samara State Technical University, Samara, Russia

    E. L. Krasnykh

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  1. E. L. Krasnykh
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Correspondence to E. L. Krasnykh.

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Original Russian Text Copyright © 2009 by E. L. Krasnykh

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Translated from Zhurnal Strukturnoi Khimii, Vol. 50, No. 3, pp. 577–581, May–June, 2009.

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Krasnykh, E.L. Prediction of the vaporization enthalpy based on modified Randič indices. I. Monohydric alcohols. J Struct Chem 50, 556–560 (2009). https://doi.org/10.1007/s10947-009-0084-1

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  • DOI: https://doi.org/10.1007/s10947-009-0084-1

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