US EPA

3537129 

Journal Article 

A Study on Alkane plus Ester plus Ester Systems. Physicochemical Behavior of Binaries and Ternaries of Octane or Iso-octane with Methyl Esters (Ethanoate, Butanoate, Pentanoate) 

Ortega, J; Fernandez, L; Castro, M; Ortega, E; Rios, R 

2016 

Yes 

Journal of Chemical and Engineering Data
ISSN: 0021-9568
EISSN: 1520-5134 

61 

3 

1177-1191 

10.1021/acs.jced.5b00813 

WOS:000372043600018 

This work presents an experimental contribution with values
of properties arising from mixing processes (enthalpies and volumes) of ternaries of octane and
iso-octane (2,2,4-trimethylpentane) with methyl pentanoate or methyl butanoate and methyl
ethanoate, measured at 298.15 K. Values of h(E) and v(E) of the binaries of these compounds are
also obtained. In all cases, the mixtures are endothermic with expansive volumetric effects. The
structural interpretation of these is analyzed in relation to the two most important effects, van
der Waals forces and electrostatic interactions due to the presence of dipoles on the esters. A
slightly different interpretation is made for the ester ester binaries, which have less
significant effects in the ternaries. Experimental data of binaries and ternaries are represented
using the authors own model with excellent results. The UNIFAC model gives good representations
of hE for the octane ester systems, but values much higher than real ones for the ester ester
systems. The repercussion of these values in the ternary is negligible since the interaction
energies in the ester ester correspond to only around 10% of the alkane-ester.