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

Liquid-Liquid(-Liquid) Equilibria in Ternary Systems of Aliphatic Hydrocarbons (Heptane or Octane) + Phenols + Water

Martin, A.[Antje], Klauck, M.[Mandy], Grenner, A.[Andreas], Meinhardt, R.[Rene], Martin, D.[Diana], Schmelzer, J.[Jurgen]
J. Chem. Eng. Data 2011, 56, 4, 741-749
ABSTRACT
The liquid-liquid equilibria (LLE) and liquid-liquid-liquid equilibria (LLLE) in eight ternary systems were determined by photometric turbidity titration at atmospheric pressure. Additionally, the compositions of coexisting phases were determined with analytic methods. The measurements in the systems heptane or octane + phenol + water were realized at temperatures of (313.15 and 333.15) K. The equilibrium data in the systems heptane + 2-cresol or 3-cresol or 4-cresol + water and octane + 2-cresol or 3-cresol or 4-cresol + water were estimated at temperatures of (298.15 and 323.15) K. The excess Gibbs energy nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) activity coefficient models as well as the Elliott-Suresh-Donohue equation of state (ESD EoS) were used to predict the LLE or LLLE in the investigated ternary systems. The binary interaction parameters were calculated using vapor-liquid and LLE data from the literature or data predicted with the modified universal quasichemical functional-group activity coefficient (UNIFAC Dortmund) model.
Compounds
# Formula Name
1 C7H8O 2-methylphenol
2 C7H8O 3-methylphenol
3 C7H8O 4-methylphenol
4 C8H18 octane
5 C7H16 heptane
6 C6H6O phenol
7 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
  • 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
  • 6
  • 5
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 28
  • POMD
  • 6
  • 4
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 31
  • POMD
  • 6
  • 5
  • 7
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 6
  • 5
  • 7
  • Mole fraction - 6 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 6
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 6
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 6
  • 5
  • 7
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 46
  • POMD
  • 1
  • 5
  • 7
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 1
  • 5
  • 7
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 1
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 1
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 1
  • 5
  • 7
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 38
  • POMD
  • 2
  • 5
  • 7
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 2
  • 5
  • 7
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 2
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 2
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 2
  • 5
  • 7
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mole fraction - 5; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • 43
  • POMD
  • 3
  • 5
  • 7
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 3
  • 5
  • 7
  • Mole fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 3
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 3
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 3
  • 5
  • 7
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 57
  • POMD
  • 6
  • 4
  • 7
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 6
  • 4
  • 7
  • Mole fraction - 6 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 6
  • 4
  • 7
  • Mole fraction - 6 ; Liquid mixture 3
  • Temperature, K; Liquid mixture 3
  • Pressure, kPa; Liquid mixture 3
  • Liquid mixture 3
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 6
  • 4
  • 7
  • Mole fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 6
  • 4
  • 7
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 6
  • 4
  • 7
  • Mole fraction - 4 ; Liquid mixture 3
  • Temperature, K; Liquid mixture 3
  • Pressure, kPa; Liquid mixture 3
  • Liquid mixture 3
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 6
  • 4
  • 7
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 41
  • POMD
  • 1
  • 4
  • 7
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 1
  • 4
  • 7
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 1
  • 4
  • 7
  • Mole fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 1
  • 4
  • 7
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 1
  • 4
  • 7
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 34
  • POMD
  • 2
  • 4
  • 7
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 2
  • 4
  • 7
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 2
  • 4
  • 7
  • Mole fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 2
  • 4
  • 7
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 2
  • 4
  • 7
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 42
  • POMD
  • 3
  • 4
  • 7
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 3
  • 4
  • 7
  • Mole fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 3
  • 4
  • 7
  • Mole fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Titration method
  • 2
  • POMD
  • 3
  • 4
  • 7
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Titration method
  • 2
  • POMD
  • 3
  • 4
  • 7
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 22