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Calculation of Heats of Vaporization of Long Chain Molecules by Group Contribution Method

Vijaya, Kumar R and Kishore, K (2001) Calculation of Heats of Vaporization of Long Chain Molecules by Group Contribution Method. In: Physics and Chemistry of Liquids, 39 (1). pp. 125-131.

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Abstract

Benson's additivity rule has been used to compute the heat of vaporization $(\Delta H^o$$_{v})$ of long chain molecules includes n-alkylcyclopentanes, and n-lkylcyclohexanes and n-alkylbenzenes. From the error analysis empirical equations have been obtained which accurately predicts the $\Delta H^o$$_{v}$ of these substituted n-alkanes. For simple n-alkanes it is observed that no modification is necessary in Benson's method. The present simple and elegant empirical approach can be utilized to calculate other thermodynamic properties of long chain molecules where such data are generally scarce

Item Type: Journal Article
Publication: Physics and Chemistry of Liquids
Publisher: Taylor & Francis
Additional Information: Copyright belongs to Taylor & Francis
Keywords: Thermochemistry;Polymers
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 10 Dec 2008 11:39
Last Modified: 01 Jul 2011 07:04
URI: http://eprints.iisc.ac.in/id/eprint/16622

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