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

Temperature Dependences of Limiting Activity Coefficients and Henry s Law Constants for Nitrobenzene, Aniline, and Cyclohexylamine in Water

Bernauer, M.[Milan], Dohnal, V.[Vladimir], Roux, A. H.[Alain H.], Roux-Desgranges, G.[Genevieve], Majer, V.[Vladimir]
J. Chem. Eng. Data 2006, 51, 5, 1678-1685
ABSTRACT
Recommended data for the limiting activity coefficients (c1 yen) of nitrobenzene, aniline, and cyclohexylamine in water were established as a function of temperature by the simultaneous correlation of the values resulting from specialized vapor-liquid equilibrium measurements and related thermal data for highly dilute solutions. The new values of c1 yen were determined by the Rayleigh distillation, circulation still, and headspace analysis methods. The limiting partial molar excess heat capacities were derived from measurements by the Picker flow microcalorimetry. These values were combined with all available literature data on the limiting activity coefficients and the limiting partial molar excess enthalpies. This allowed us to produce a thermodynamically consistent fit of c1 yen between 273 K and 373 K, which was in turn used in combination with pure solute vapor pressures to calculate the Henry s law constants (kH).
Compounds
# Formula Name
1 C6H5NO2 nitrobenzene
2 C6H7N aniline
3 C6H13N cyclohexylamine
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
  • 4
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Rayleigh distillation method
  • 5
  • POMD
  • 1
  • 4
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • ciculation still method
  • 1
  • POMD
  • 2
  • 4
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • ciculation still method
  • 1
  • POMD
  • 2
  • 4
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • headspace analysis
  • 1
  • POMD
  • 2
  • 4
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Rayleigh distillation method
  • 4
  • POMD
  • 3
  • 4
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Rayleigh distillation method
  • 3
  • POMD
  • 3
  • 4
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • circulation still method
  • 3
  • POMD
  • 3
  • 4
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • headspace analysis
  • 2