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

Henry s Law Constants of Some Aromatic Aldehydes and Ketones Measured by an Internal Standard Method

Ji, C.[Chang], Day, S. E.[Shannon E.], Ortega, S. A.[Stephanie A.], Beall, G. W.[Gary W.]
J. Chem. Eng. Data 2008, 53, 5, 1093-1097
ABSTRACT
Dimensionless Henry s law constants kH (air-water partition coefficients) for a series of aromatic aldehydes and ketones were measured by using an internal standard method. It was demonstrated that the technique works well for both liquid and solid species. The kH values of these compounds, which usually are difficult to be determined experimentally, are in the order of 10-6 to 10-3. The measurements were carried out under atmospheric pressure and at various temperatures [(273 to 298) K]. The temperature dependence of kH was also studied, and the van t Hoff parameters were calculated. All the data are reported with the corresponding standard deviations and uncertainties at the 95 % confidence level. The theoretical dipole moments in the gas phase were computed by utilizing Cerius2 molecular modeling software to justify the discrepancies among the kH values of the isomers. These calculations exhibit linear relationships between the dipole moment and kH within each isomer series.
Compounds
# Formula Name
1 C8H8O acetophenone
2 C6H6O phenol
3 C7H6O2 2-hydroxybenzaldehyde
4 C8H8O 2-methylbenzaldehyde
5 C8H8O 3-methylbenzaldehyde
6 C8H8O 4-methylbenzaldehyde
7 C8H8O2 2-methoxybenzaldehyde
8 C8H8O2 3-methoxybenzaldehyde
9 C8H8O2 4-methoxybenzaldehyde
10 C9H10O ethyl phenyl ketone
11 C9H10O 2-methylacetophenone
12 C9H10O 3'-methylacetophenone
13 C9H10O2 2'-methoxyacetophenone
14 C9H10O2 3'-methoxyacetophenone
15 C8H8O2 1-(2-hydroxyphenyl)ethanone
16 H2O water
17 C9H10O 4'-methylacetophenone
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
  • 16
  • Amount concentration (molarity), mol/dm3 - 1 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 1; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 2
  • 16
  • Amount concentration (molarity), mol/dm3 - 2 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 3
  • 16
  • Amount concentration (molarity), mol/dm3 - 3 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 3; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 4
  • 16
  • Amount concentration (molarity), mol/dm3 - 4 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 4; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 5
  • 16
  • Amount concentration (molarity), mol/dm3 - 5 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 5; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 6
  • 16
  • Amount concentration (molarity), mol/dm3 - 6 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 6; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 7
  • 16
  • Amount concentration (molarity), mol/dm3 - 7 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 7; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 8
  • 16
  • Amount concentration (molarity), mol/dm3 - 8 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 8; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 9
  • 16
  • Amount concentration (molarity), mol/dm3 - 9 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 9; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 10
  • 16
  • Amount concentration (molarity), mol/dm3 - 10 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 10; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 11
  • 16
  • Amount concentration (molarity), mol/dm3 - 11 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 11; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 12
  • 16
  • Amount concentration (molarity), mol/dm3 - 12 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 12; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 17
  • 16
  • Amount concentration (molarity), mol/dm3 - 17 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 17; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 13
  • 16
  • Amount concentration (molarity), mol/dm3 - 13 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 13; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 14
  • 16
  • Amount concentration (molarity), mol/dm3 - 14 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 14; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 15
  • 16
  • Amount concentration (molarity), mol/dm3 - 15 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 15; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 5