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

Phase Equilibrium Measurement and Thermodynamic Modeling of the 4-Methylpentan-2-one/3-Methylphenol, and 4-Methylphenol/Water Ternary Systems at 298.2, 313.2, and 323.2 K and 0.1 MPa

Chen, Y.[Yun], Wang, H.[Huimin], Lv, R.[Ran], Li, L.[Libo]
J. Chem. Eng. Data 2017, 62, 1, 141-147
ABSTRACT
The tie-line data for the {4-methylpentan-2-one + 3-methylphenol, 4-methylphenol + water} ternary systems at 298.2K, 313.2K and 323.2K were measured under 101.3kPa. Partition coefficient and separation factor were computed in order to estimate the extraction capacity of 4-methylpentan-2-one, which indicated that 4-methylpentan-2-one has an excellent performance in terms of extracting methylphenols from water. The activity coefficient models, NRTL and UNIQUAC, were used to correlate experimental results, yielding root-mean-square deviations (RMSD) below 0.5%. This indicated both models represent the experimental data very well.
Compounds
# Formula Name
1 C6H12O 4-methylpentan-2-one
2 C7H8O 3-methylphenol
3 C7H8O 4-methylphenol
4 C9H12 1,3,5-trimethylbenzene
5 CH4O methanol
6 C6H12O2 butyl ethanoate
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
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Buoyancy - hydrostatic balance
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Buoyancy - hydrostatic balance
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Metastable liquid
  • Pressure, kPa; Metastable liquid
  • Temperature, K; Metastable liquid
  • Metastable liquid
  • Buoyancy - hydrostatic balance
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Buoyancy - hydrostatic balance
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Buoyancy - hydrostatic balance
  • 1
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Buoyancy - hydrostatic balance
  • 1
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Buoyancy - hydrostatic balance
  • 1
  • POMD
  • 1
  • 2
  • 7
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 27
  • POMD
  • 3
  • 1
  • 7
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 27
  • POMD
  • 1
  • 7
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 1
  • 7
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3