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Prediction of vaporization enthalpy based on modified Randič indices. Alkanes

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Abstract

Methods to calculate the enthalpy of vaporization of alkanes under normal conditions are considered using the classic Randič method and its modifications. The calculation based on modified methods is shown to be capable of predicting the vaporization enthalpy of alkanes with an error comparable with that of experimental measurements.

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Authors and Affiliations

  1. State Educational Institution of High Professional Education, Samara State Technical University, Moscow, 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 © 2008 by E. L. Krasnykh

__________

Translated from Zhurnal Strukturnoi Khimii, Vol. 49, No. 6, pp. 1026–1032, November–December, 2008.

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Krasnykh, E.L. Prediction of vaporization enthalpy based on modified Randič indices. Alkanes. J Struct Chem 49, 986–993 (2008). https://doi.org/10.1007/s10947-008-0170-9

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  • DOI: https://doi.org/10.1007/s10947-008-0170-9

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