Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Liquid-liquid equilibria and density data for pseudoternary systems of refined soybean oil + (hexanal, or heptanal, or butyric acid, or valeric acid, or caproic acid, or caprylic acid) + dimethyl sulfoxide at 298.15 K

Homrich, Perci O.B., Dias, Laisa G., Mariutti, Lilian R.B., Bragagnolo, Neura, Ceriani, Roberta
J. Chem. Thermodyn. 2019, 131, 149-158
ABSTRACT
Odoriferous compounds and free fatty acids can be mildly removed from vegetable oils using organic liquid solvents. Liquid-liquid equilibrium data are presented for extraction of odoriferous compounds (hexanal, heptanal, butyric acid, valeric acid, caproic acid, and caprylic acid) from refined soybean oil using dimethyl sulfoxide. Six tie lines were measured for each system at 298.15 K and under atmospheric pressure. Quantification of mass fractions was carried out by gas chromatography-mass spectrometry (GC-MS) for hexanal and heptanal, by gravimetry in a vacuum oven for refined soybean oil, and by titration for carboxylic acids. Measured data showed a high extraction of short-chain carboxylic acids and very low amounts of oil in solvent-rich phases. Coefficients of partition lower than 1 were found for aldehydes. Satisfactory agreements were found for thermodynamic correlation by using the NonRandom Two-Liquids (NRTL) and the UNIversal QUAsiChemical (UNIQUAC) models, which presented global deviations lower than 0.55 and 0.71%, respectively. Moreover, four versions of the UNIFAC method were tested (UNIFAC-LL, UNIFAC-HIR, UNIFAC-DMD, and NIST-UNIFAC), wherein reasonable agreements were found for few cases.
Compounds
# Formula Name
1 C2H6OS dimethyl sulfoxide
2 C6H12O hexanal
3 C7H14O heptanal
4 C4H8O2 butanoic acid
5 C5H10O2 pentanoic acid
6 C6H12O2 hexanoic acid
7 C8H16O2 octanoic acid
8 C3H8O propan-2-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.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 8
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1