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

Phase Equilibria for Reactive Distillation of Propyl Propanoate. Pure Component Property Data, Vapor-Liquid Equilibria, and Liquid-Liquid Equilibria

Altman, E.[Ernesto], Stefanidis, G. D.[Georgios D.], Gerven, T. v.[Thomas van], Stankiewicz, A. I.[Andrzej I.]
J. Chem. Eng. Data 2011, 56, 5, 2322-2328
ABSTRACT
Isobaric vapor-liquid equilibrium (VLE) data were measured for the binary systems propan-1-ol + propanoic acid, propan-1-ol + propyl propanoate, propyl propanoate + propanoic acid, and water + propyl propanoate at 101.3 kPa. Isothermal liquid-liquid equilibrium (LLE) data were measured for the ternary system propan-1-ol + water + propyl propanoate at 288.15 K. VLE and LLE data were fitted using the UNIQUAC model to account for non idealities in the liquid phase while the Hayden O Connell equation of state was used to account for nonidealities in the vapor phase. The models are in good agreement with the experimental data. The UNIQUAC parameters obtained from the data regression can be used to effectively describe the thermodynamic behavior of the quaternary mixture in a reactive distillation process.
Compounds
# Formula Name
1 C6H12O2 propyl propanoate
2 C3H6O2 propanoic acid
3 C3H8O propan-1-ol
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO::UFactor:8
  • 1
  • POMD
  • 3
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 25
  • POMD
  • 3
  • 2
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 25
  • POMD
  • 3
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 22
  • POMD
  • 3
  • 1
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 22
  • POMD
  • 2
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 21
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 21
  • POMD
  • 1
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 10
  • POMD
  • 1
  • 4
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 10
  • POMD
  • 3
  • 1
  • 4
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 8