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

Limiting Separation Factors and Limiting Activity Coefficients for 2-Furfural, gamma-Nonalactone, Benzaldehyde, and Linalool in Water at 100 deg C

Hertel, M. O.[Marcus O.], Sommer, K.[Karl]
J. Chem. Eng. Data 2006, 51, 4, 1283-1285
ABSTRACT
In combination with previous work in which limiting separation factors of important wort flavor components in water at 100 deg C were determined, this work deals with the limiting separation factor (Kyen) for 2-furfural (x), gamma-nonalactone (x), benzaldehyde (x), and linalool (x) in water (1 - x). As the solutions are highly dilute (x < 10-5), infinite dilution is assumed. The condensed vapor and liquid samples were analyzed using UV spectroscopy. As the confidence intervals are very small, the method showed a good reproducibility. The calculated limiting activity coefficient depends highly on the reliability of the vapor pressure data of the pure components. The measurements of the limiting separation factors of wort aroma compounds in water were investigated to figure out the steaming behavior of these components during the atmospheric boiling of wort. With this knowledge, residue curves can be calculated to predict a needed total evaporation individually for every brew.
Compounds
# Formula Name
1 H2O water
2 C5H4O2 2-furaldehyde
3 C9H16O2 2(3H)-furanone, dihydro-5-pentyl-
4 C7H6O benzaldehyde
5 C10H18O 3,7-dimethyl-1,6-octadien-3-ol
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
  • 2
  • 1
  • Amount concentration (molarity), mol/dm3 - 2 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • UV absorption spectra
  • 1
  • POMD
  • 3
  • 1
  • Amount concentration (molarity), mol/dm3 - 3 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 3; Liquid
  • Gas
  • Liquid
  • UV absorption spectra
  • 1
  • POMD
  • 4
  • 1
  • Amount concentration (molarity), mol/dm3 - 4 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 4; Liquid
  • Gas
  • Liquid
  • UV absorption spectra
  • 1
  • POMD
  • 5
  • 1
  • Amount concentration (molarity), mol/dm3 - 5 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 5; Liquid
  • Gas
  • Liquid
  • UV absorption spectra
  • 1