Please use this identifier to cite or link to this item: http://hdl.handle.net/10553/48580
Title: Behaviour of binary mixtures of an alkyl methanoate + an n-alkane. New experimental values and an interpretation using the UNIFAC model
Authors: Ortega, Juan 
Plácido, José
Toledo, Francisco 
Vidal, María
Siimer, Enn
Legido, José L.
Keywords: Vapor-Liquid-Equilibria
Excess-Enthalpies
Ethyl Formate
Thermodynamics
Prediction, et al
Issue Date: 1999
Publisher: 1463-9076
Journal: Physical Chemistry Chemical Physics 
Abstract: This paper presents an interpretation on the behaviour of mixtures containing alkyl methanoates with n-alkanes from a structural point of view. New experimental data of molar excess properties, h(E) and v(E), are measured at 298.15 K and 101.32 kPa for this work to complete the existing information. Mixtures corresponding to methyl methanoate + n-alkanes showed excess quantities higher than expected because of the self-association of methyl methanoates, which decreases as the chain length/molar mass of alkyl methanoates increases. The consideration of autoassociation in methanoates, presented in this paper as an empirical relationship for its characterization as a function of number of carbon atoms of alkyl methanoate, was included as a specific term in the UNIFAC model that gave excellent results in the predictions of H(E), with mean differences smaller than 2%. In the Nitta model the association in methanoates was considered employing different forms of molecular interactions but the results were not so good.
URI: http://hdl.handle.net/10553/48580
ISSN: 1463-9076
DOI: 10.1039/a901452g
Source: Physical Chemistry Chemical Physics[ISSN 1463-9076],v. 1 (12), p. 2967-2974
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