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

Activity Coefficients at Infinite Dilution of Volatile Compounds in Water: Effect of Temperature and Salt Concentration

Martinez, R.[Rodrigo], Sanz, M. T.[Maria Teresa], Beltran, S.[Sagrario], Corcuera, E.[Elena]
J. Chem. Eng. Data 2012, 57, 5, 1480-1485
ABSTRACT
Activity coefficients at infinite dilution in water have been determined for some aroma compounds detected in brown crab liquid effluent produced during boiling (1-octen-3-ol, 1-penten-3-ol, 3-methylbutanal, hexanal, benzaldehyde, 2,3-pentadione, and ethyl acetate) by using the headspace gas chromatography technique (HSGC). Experimental data have been obtained over the temperature range of (40 to 50) deg C. In this work, activity coefficients at infinite dilution for different kinds of systems have been considered: one component solute + water and multicomponent solute + water. No significant differences were observed between activity coefficients obtained in these two kinds of systems. Additionally the effect of salt concentration at 40 deg C has been studied by varying the salt concentration from (0 to 1.71) mol*kg 1. Experimental data were fitted as a function of salt concentration by using the Setschenow equation, obtaining the salting-out coefficient.
Compounds
# Formula Name
1 C8H16O 1-octen-3-ol
2 C5H10O 1-penten-3-ol
3 C5H10O 3-methylbutanal
4 C6H12O hexanal
5 C7H6O benzaldehyde
6 C5H8O2 2,3-pentanedione
7 C4H8O2 ethyl acetate
8 ClNa sodium chloride
9 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
  • 9
  • Activity coefficient - 1 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 1
  • POMD
  • 2
  • 9
  • Activity coefficient - 2 ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 1
  • POMD
  • 3
  • 9
  • Activity coefficient - 3 ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 1
  • POMD
  • 4
  • 9
  • Activity coefficient - 4 ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 1
  • POMD
  • 5
  • 9
  • Activity coefficient - 5 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 1
  • POMD
  • 6
  • 9
  • Activity coefficient - 6 ; Liquid
  • Mole fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 1
  • POMD
  • 7
  • 9
  • Activity coefficient - 7 ; Liquid
  • Mole fraction - 7; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 1
  • POMD
  • 7
  • 8
  • 9
  • Activity coefficient - 7 ; Liquid
  • Molality, mol/kg - 8; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 3
  • 8
  • 9
  • Activity coefficient - 3 ; Liquid
  • Molality, mol/kg - 8; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 6
  • 8
  • 9
  • Activity coefficient - 6 ; Liquid
  • Molality, mol/kg - 8; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 8
  • 9
  • Activity coefficient - 2 ; Liquid
  • Molality, mol/kg - 8; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 4
  • 8
  • 9
  • Activity coefficient - 4 ; Liquid
  • Molality, mol/kg - 8; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 5
  • 8
  • 9
  • Activity coefficient - 5 ; Liquid
  • Molality, mol/kg - 8; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 1
  • 8
  • 9
  • Activity coefficient - 1 ; Liquid
  • Molality, mol/kg - 8; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Chromatography
  • 4