Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

A relative headspace method for Henry s constants of volatile organic compounds

Chai, X. S., Falabella, J. B.[James B.], Teja, A. S.[Amyn S.]
Fluid Phase Equilib. 2005, 231, 2, 239-245
ABSTRACT
A relative headspace gas chromatographic method is described for the measurement of Henry's constants of volatile organic compounds (VOCs) in aqueous salt solutions. The method requires the Henry's constant of the VOC in pure water, and employs larger liquid samples than conventional headspace techniques in order to minimize errors arising from solute mass loss from the liquid phase. Henry's constants of five methyl ketones (2-propanone, 2-butanone, 2-pentanone, 2-hexanone, and 2-heptanone) in 0.2 M (molal) to 1.0 M sodium sulfate solutions were measured using the relative method at temperatures between 50 and 80 deg C. Reference values of Henry's constants of the five methyl ketones in pure water were measured using a differential headspace technique. The entire data set was correlated using an equation containing three parameters (obtained from VOC + water data) and a single salt parameter. The equation was able to successfully extrapolate Henry's constant data over the entire range of salt concentrations.
Compounds
# Formula Name
1 C5H10O pentan-2-one
2 C6H12O 2-hexanone
3 C7H14O 2-heptanone
4 Na2O4S sodium sulfate
5 H2O water
6 C3H6O acetone
7 C4H8O butanone
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
  • 6
  • 5
  • Henry's Law constant (mole fraction scale), kPa - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • gas chromatograph
  • 4
  • POMD
  • 7
  • 5
  • Henry's Law constant (mole fraction scale), kPa - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Gas
  • gas chromatograph
  • 4
  • POMD
  • 1
  • 5
  • Henry's Law constant (mole fraction scale), kPa - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • gas chromatograph
  • 4
  • POMD
  • 2
  • 5
  • Henry's Law constant (mole fraction scale), kPa - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • gas chromatograph
  • 4
  • POMD
  • 3
  • 5
  • Henry's Law constant (mole fraction scale), kPa - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • gas chromatograph
  • 4
  • POMD
  • 6
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Molality, mol/kg - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 6
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Molality, mol/kg - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 6
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 6 ; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 24
  • POMD
  • 7
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Molality, mol/kg - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 7
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Molality, mol/kg - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 7
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 7 ; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 24
  • POMD
  • 1
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Molality, mol/kg - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 1
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Molality, mol/kg - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 1
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 1 ; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 24
  • POMD
  • 2
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Molality, mol/kg - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 2
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Molality, mol/kg - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 2
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 2 ; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 24
  • POMD
  • 3
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Molality, mol/kg - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 3
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Molality, mol/kg - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 3
  • 5
  • 4
  • Henry's Law constant (mole fraction scale), kPa - 3 ; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 24