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

Temperature Dependence of Limiting Activity Coefficients, Henry s Law Constants, and Related Infinite Dilution Properties of Branched (C3 and C4) Alkanols in Water. Measurement, Critical Compilation, Correlation, and Recommended Data

Fenclova, D.[Dana], Dohnal, V.[Vladimir], Vrbka, P.[Pavel], Lastovka, V.[Vaclav]
J. Chem. Eng. Data 2007, 52, 3, 989-1002
ABSTRACT
Limiting activity coefficients (c1 yen) of lower branched alkanols (2-propanol, 2-butanol, 2-methyl-1-propanol, and 2-methyl-2-propanol) in water were measured at several temperatures covering the range from the melting to the normal boiling point of water. Four experimental techniques (namely, headspace analysis, inert gas stripping, Rayleigh distillation, and the method of circulation still) were employed for the purpose. A comprehensive review is further presented of experimental data on the limiting activity coefficients (c1 yen), infinite dilution partial molar excess enthalpies (Hh 1 E,yen), and heat capacities (Chp,1 E,yen) of these aqueous solutes. For each alkanol, the compiled data were critically evaluated and together with the data measured in this work correlated with a suitable model equation providing adequate simultaneous description of the equilibrium measurements and the calorimetric information. As a result, a recommended thermodynamically consistent temperature dependence of c1 yen, Hh 1 E,yen, and Chp,1 E,yen of superior accuracy was established in the range from the melting point to the normal boiling point of water. In addition, by employing literature data on the respective residual properties of the pure alkanols, analogous recommendations were derived also for the temperature dependence of the Henry s law constants, hydration enthalpies, and hydration heat capacities. Variation of these various infinite dilution thermodynamic properties of aqueous branched alkanols with temperature and alkanol branching is briefly discussed.
Compounds
# Formula Name
1 C3H8O propan-2-ol
2 C4H10O butan-2-ol
3 C4H10O 2-methyl-1-propanol
4 C4H10O 2-methylpropan-2-ol
5 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
  • 5
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • circulation equilibrium still
  • 3
  • POMD
  • 1
  • 5
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Rayleigh distallation
  • 1
  • POMD
  • 1
  • 5
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Relative Headspace Analysis
  • 3
  • POMD
  • 2
  • 5
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • circulation equilibrium still
  • 2
  • POMD
  • 2
  • 5
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Relative Headspace Analysis
  • 3
  • POMD
  • 2
  • 5
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • headspace analysis
  • 5
  • POMD
  • 2
  • 5
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Rayleigh distallation
  • 2
  • POMD
  • 2
  • 5
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 4
  • POMD
  • 3
  • 5
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • circulation equilibrium still
  • 2
  • POMD
  • 3
  • 5
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Relative Headspace Analysis
  • 3
  • POMD
  • 3
  • 5
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • headspace analysis
  • 5
  • POMD
  • 4
  • 5
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • circulation equilibrium still
  • 3
  • POMD
  • 4
  • 5
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • headspace analysis
  • 3
  • POMD
  • 4
  • 5
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Rayleigh distallation
  • 3