Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Multiphase equilibria for mixtures containing water, isopropanol, propionic acid, and isopropyl propionate

Hsieh, C.-T.[Cheng-Ting], Lee, M. J.[Ming-Jer], Lin, H.-m.[Ho-mu], Cheng, J.-C.[Ju-Chun], Ji, W.-Y.[Wan-Yun]
Fluid Phase Equilib. 2011, 305, 1, 53-61
ABSTRACT
Vapor pressures of isopropyl propionate and isobaric vapor liquid equilibrium (VLE) properties of isopropyl propionate + isopropanol and propionic acid + isopropyl propionate were measured. Isothermal vapor liquid liquid equilibrium (VLLE) data were also determined experimentally for water + isopropyl propionate and water + isopropyl propionate + isopropanol at temperatures from 323.24 K to 373.15 K. The binary VLE and VLLE data can be correlated well with the NRTL-HOC and the UNIQUAC-HOC models. The ternary VLLE data were used to test the validity of two versions of the UNIFAC model and the NRTL-HOC and the UNIQUAC-HOC models with the parameters determined from the phase equilibrium data of the constituent binaries. The ternary VLLE data were also correlated with the NRTL-HOC and the UNIQUAC-HOC models and the Soave-Redlich-Kwong equation of state with the Wong-Sandler mixing rule.
Compounds
# Formula Name
1 C3H8O propan-2-ol
2 C3H6O2 propanoic acid
3 C6H12O2 1-methylethyl propanoate
4 H2O water
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 7
  • POMD
  • 1
  • 3
  • Boiling temperature at pressure P, K ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 20
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 20
  • POMD
  • 2
  • 3
  • Boiling temperature at pressure P, K ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 16
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 16
  • POMD
  • 3
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Liquid mixture 1
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Closed cell (Static) method
  • 11
  • POMD
  • 3
  • 4
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Chromatography
  • 11
  • POMD
  • 3
  • 4
  • Mole fraction - 3 ; Gas
  • Temperature, K; Liquid mixture 1
  • Gas
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 11
  • POMD
  • 3
  • 4
  • Mole fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • Chromatography
  • 11
  • POMD
  • 1
  • 3
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Gas
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 4 ; Gas
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • 15