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

Determination of Henry s Law Constants and Activity Coefficients at Infinite Dilution of Flavor Compounds in Water at 298 K with a Gas-Chromatographic Method

Straver, E. J. M., de Loos, T. W.[Theo W.]
J. Chem. Eng. Data 2005, 50, 4, 1171-1176
ABSTRACT
Experimental results for Henry s law constants and activity coefficients at infinite dilution of the flavor compounds ethanol, propanol, acetone, 2-butanone, 2-pentanone, 2-hexanone, diacetyl, methyl sulfide, cis-4-heptenal, acetoin, and acetaldehyde in water are reported for a temperature of 298 K. The activity coefficients at infinite dilution were measured with the so-called relative stationary gas-liquid chromatographic method. This method makes use of a reference compound whose activity coefficient at infinite dilution in the solvent (in this case water, which is loaded onto a solid support in a packed chromatographic column) is known. This method is very useful for the determination of activity coefficients of infinite dilution of solutes in volatile solvents, which are difficult to measure in conventional gasliquid chromatographic methods because of the stripping of the solvent from the column. The reproducibility of the measured values depends on the type of compound and is between (1 and (5 %. The choice of a value for the activity coefficient of the reference compounds can cause a systematic error of up to 3 %.
Compounds
# Formula Name
1 C2H6O ethanol
2 C3H8O propan-1-ol
3 C3H6O acetone
4 C4H8O butanone
5 C5H10O pentan-2-one
6 C6H12O 2-hexanone
7 C4H6O2 2,3-butanedione
8 C2H6S 2-thiapropane
9 C7H12O (Z)-4-heptenal
10 C4H8O2 2,3-butanolone
11 C2H4O ethanal
12 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
  • 12
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Chromatography
  • 1
  • POMD
  • 1
  • 12
  • Henry's Law constant (mole fraction scale), kPa - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 2
  • 12
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 2
  • 12
  • Henry's Law constant (mole fraction scale), kPa - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 3
  • 12
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 3
  • 12
  • Henry's Law constant (mole fraction scale), kPa - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 7
  • POMD
  • 4
  • 12
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Chromatography
  • 2
  • POMD
  • 4
  • 12
  • Henry's Law constant (mole fraction scale), kPa - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 5
  • 12
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 2
  • POMD
  • 5
  • 12
  • Henry's Law constant (mole fraction scale), kPa - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 6
  • 12
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 2
  • POMD
  • 6
  • 12
  • Henry's Law constant (mole fraction scale), kPa - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 7
  • 12
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 7
  • 12
  • Henry's Law constant (mole fraction scale), kPa - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 6
  • POMD
  • 8
  • 12
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 8
  • POMD
  • 8
  • 12
  • Henry's Law constant (mole fraction scale), kPa - 8 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 8
  • POMD
  • 9
  • 12
  • Henry's Law constant (mole fraction scale), kPa - 9 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 3
  • POMD
  • 10
  • 12
  • Henry's Law constant (mole fraction scale), kPa - 10 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 11
  • 12
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 11
  • 12
  • Henry's Law constant (mole fraction scale), kPa - 11 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5