Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Liquid Liquid Equilibrium for Ternary Systems Containing Water, Oleic Acid, and Alcohols at 313.15 K. Effect of Alcohol Chain Length

Santos, J. S.[Joanna S.], Craig, A. P. L.[Alexandre P. L.], Santana, J. M. O.[Jessica Mayara O.], Santos, A. F.[Alexandre F.], Heredia, M. F.[Montserrat F.], Corazza, M. L.[Marcos L.], Franceschi, E.[Elton], Dariva, C.[Claudio]
J. Chem. Eng. Data 2015, 60, 7, 2050-2056
ABSTRACT
This work aims to report liquid liquid equilibrium (LLE) experimental data for six ternary systems of interest in esterification reactions, composed of water, oleic acid, and alcohols (ethanol, 1-propanol, isopropanol, 1-butanol, 1-hexanol, and 1-octanol) at 313.15 K. The tie lines were determined by quantification of components in biphasic systems at distinct overall compositions. The experimental results showed that as the alcohol carbonic chain length increases, its solubility decreases in the aqueous phase. The experimental data were correlated with the NRTL and UNIQUAC models. The overall deviations obtained between the experimental and calculated values ranged from (0.27 to 1.29) % and from (0.40 to 1.40) % for NRTL and UNIQUAC models, respectively, suggesting that both models are able to describe the phase behavior of the investigated systems.
Compounds
# Formula Name
1 C2H6O ethanol
2 C3H8O propan-1-ol
3 C3H8O propan-2-ol
4 C4H10O butan-1-ol
5 C6H14O hexan-1-ol
6 C8H18O octan-1-ol
7 H2O water
8 C18H34O2 (Z)-9-octadecenoic acid
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
  • 8
  • 7
  • Mass fraction - 8 ; Liquid mixture 2
  • Mass fraction - 7; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • TITR:UFactor:4
  • 7
  • POMD
  • 1
  • 8
  • 7
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:4
  • 7
  • POMD
  • 2
  • 8
  • 7
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:4
  • 6
  • POMD
  • 2
  • 8
  • 7
  • Mass fraction - 8 ; Liquid mixture 2
  • Mass fraction - 7; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • TITR:UFactor:4
  • 6
  • POMD
  • 3
  • 8
  • 7
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:4
  • 6
  • POMD
  • 3
  • 8
  • 7
  • Mass fraction - 8 ; Liquid mixture 2
  • Mass fraction - 7; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • TITR:UFactor:4
  • 6
  • POMD
  • 4
  • 8
  • 7
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:4
  • 6
  • POMD
  • 4
  • 8
  • 7
  • Mass fraction - 8 ; Liquid mixture 2
  • Mass fraction - 7; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • TITR:UFactor:4
  • 6
  • POMD
  • 5
  • 8
  • 7
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:4
  • 6
  • POMD
  • 5
  • 8
  • 7
  • Mass fraction - 8 ; Liquid mixture 2
  • Mass fraction - 7; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • TITR:UFactor:4
  • 6
  • POMD
  • 6
  • 8
  • 7
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:4
  • 6
  • POMD
  • 6
  • 8
  • 7
  • Mass fraction - 8 ; Liquid mixture 2
  • Mass fraction - 7; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • TITR:UFactor:4
  • 6