Vapor pressures for the saturated triglycerides (TGs) tricaprylin, tricaprin and liquid densities of tricaprylin were experimentally determined. TG pure-component parameters for the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) were fitted to that data and validated with densities of the binary mixtures octanol/tricaprin and octanol/trilaurin at different temperatures and TG mass fractions. Furthermore, pure-component parameters of the unsaturated TGs triolein and trilinolein were estimated by a group-contribution method. Correctly predicted solid-liquid equilibria of mixtures containing the before-mentioned TGs revealed that intermolecular interactions among TGs are quantitatively described by PCSAFT.
Compounds
#
Formula
Name
1
C27H50O6
1,2,3-propanetriol trioctanoate
2
C33H62O6
1,2,3-propanetriyl tridecanoate
3
C39H74O6
1,2,3-propanetriyl tridodecanoate
4
C8H18O
octan-1-ol
Datasets
The table above is generated from the ThermoML associated json file (link above).
POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied;
the numbers refer to the table of compounds on the left.