Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Vapour liquid equilibria, azeotropic data, excess enthalpies, activity coefficients at infinite dilution and solid liquid equilibria for binary alcohol ketone systems

Abbas, R.[Rima], Gmehling, J.[Jurgen]
Fluid Phase Equilib. 2008, 267, 2, 119-126
ABSTRACT
Isothermal vapour liquid equilibria (VLE), solid liquid equilibria and excess enthalpies have been measured for the systems cyclohexanone + cyclohexanol and 2-octanone + 1-hexanol. Additionally in this paper binary azeotropic data at different pressures for 1-pentanol + 2-heptanone and 1-hexanol + 2- octanone have been determined with the help of a wire band column. Furthermore activity coefficients at infinite dilution formethanol, ethanol, 1-butanol and 1-propanol in 2-octanone at different temperatures have been measured with the help of the dilutor technique. These data together with literature data for alcohol ketone systems were used to fit temperature-dependent group interaction parameters for the group contribution method modified UNIFAC (Dortmund) and the group contribution equation of state VTPR.
Compounds
# Formula Name
1 C8H16O 2-octanone
2 C6H10O cyclohexanone
3 C6H14O hexan-1-ol
4 C6H12O cyclohexanol
5 C5H12O pentan-1-ol
6 CH4O methanol
7 C2H6O ethanol
8 C7H14O 2-heptanone
9 C3H8O propan-1-ol
10 C4H10O butan-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.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS:UFactor:2
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 2
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 2
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS:UFactor:2
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 2
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 2
  • POMD
  • 1
  • 3
  • Azeotropic pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • micro spinning band column
  • 3
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:2
  • 19
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • VISOBS:UFactor:2
  • 2
  • POMD
  • 1
  • 3
  • Azeotropic composition: mole fraction - 3 ; Liquid
  • Temperature, K; Gas
  • Liquid
  • Gas
  • micro spinning band column
  • 3
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 82
  • POMD
  • 1
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 38
  • POMD
  • 4
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • VISOBS
  • 21
  • POMD
  • 4
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 83
  • POMD
  • 4
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Flow calorimetry
  • 38
  • POMD
  • 5
  • 8
  • Azeotropic pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • micro spinning band column
  • 3
  • POMD
  • 5
  • 8
  • Azeotropic composition: mole fraction - 8 ; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • By T or P extreme
  • 3
  • POMD
  • 6
  • 1
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • extrapolation
  • 4
  • POMD
  • 7
  • 1
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • extrapolation
  • 4
  • POMD
  • 9
  • 1
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • extrapolation
  • 4
  • POMD
  • 10
  • 1
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • extrapolation
  • 4