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

Determination of Temperature-Dependent Henry s Law Constant of Four Oxygenated Solutes in Water Using Headspace Solid-Phase Microextraction Technique

Bohme, A.[Alexander], Paschke, A.[Albrecht], Vrbka, P.[Pavel], Dohnal, V.[Vladimir], Schuurmann, G.[Gerrit]
J. Chem. Eng. Data 2008, 53, 12, 2873-2877
ABSTRACT
Dimensionless Henry s law constants (air/water partition coefficient Kaw) of four volatile organic compounds (VOCs), namely, methyl tert-butyl ether, vinyl acetate, dimethyl carbonate, and diethyl carbonate, are reported. Applying headspace solid-phase microextraction (HS-SPME) in combination with gas chromatographic analysis, whose response was calibrated by the use of standard gas mixtures, Kaw values (0.001 less than Kaw less than 0.1) were determined in the temperature range of (10 to 45) deg C. Replicated measurements showed a good repeatability (average relative standard deviation 2.5 %, n = 144). The results were checked through additional Kaw measurements carried out using the inert gas stripping (IGS) technique at 25 deg C, receiving intermethod deviations less than 5 %. Furthermore, approximate values of hydration enthalpies ?Hhyd and hydration entropies ?Shyd for the four VOCs were derived from linear van t Hoff fits of the Kaw(T) data, demonstrating an enthalpy-driven partition process.
Compounds
# Formula Name
1 C5H12O 2-methoxy-2-methylpropane
2 C4H6O2 vinyl acetate
3 C3H6O3 dimethyl carbonate
4 C5H10O3 diethyl carbonate
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
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Molality, mol/kg - 1; Liquid
  • Gas
  • Liquid
  • head space solid phase microextraction
  • 5
  • POMD
  • 1
  • 5
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 1; Liquid
  • Gas
  • Liquid
  • Inert gas stripping
  • 1
  • POMD
  • 2
  • 5
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 2; Liquid
  • Gas
  • Liquid
  • head space solid phase microextraction
  • 7
  • POMD
  • 2
  • 5
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 2; Liquid
  • Gas
  • Liquid
  • Inert gas stripping
  • 1
  • POMD
  • 4
  • 5
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 4; Liquid
  • Gas
  • Liquid
  • head space solid phase microextraction
  • 5
  • POMD
  • 4
  • 5
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 4; Liquid
  • Gas
  • Liquid
  • Inert gas stripping
  • 1
  • POMD
  • 3
  • 5
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 3; Liquid
  • Gas
  • Liquid
  • Headspace Solid Phase Microextraction with Gas Chromatography
  • 5
  • POMD
  • 3
  • 5
  • Amount concentration (molarity), mol/dm3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 3; Liquid
  • Gas
  • Liquid
  • Inert gas stripping
  • 1