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Henry's Law Constants

Rolf Sander

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Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

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Henry's Law Constants

Notes

References

Errata

Contact, Impressum, Acknowledgements

When referring to the compilation of Henry's Law Constants, please cite this publication:

R. Sander: Compilation of Henry's law constants (version 4.0) for water as solvent, Atmos. Chem. Phys., 15, 4399-4981 (2015), doi:10.5194/acp-15-4399-2015

Henry's Law Constants → Organic species with oxygen (O) → Aldehydes (RCHO) → hexanal

FORMULA:C5H11CHO
CAS RN:66-25-1
STRUCTURE
(FROM NIST):
InChIKey:JARKCYVAAOWBJS-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.2×10−2 Karl et al. 2003 M
4.9×10−2 6500 Zhou and Mopper 1990 M 188)
4.6×10−2 Buttery et al. 1969 M
5.8×10−2 Buttery et al. 1965 M
3.5×10−2 Amoore and Buttery 1978 V
4.8×10−2 Sieg et al. 2008 C
5.8×10−2 Hilal et al. 2008 Q
1.1×10−2 Hertel et al. 2007 Q 194)
6600 Kühne et al. 2005 Q
5.8×10−2 Nirmalakhandan et al. 1997 Q
4.6×10−2 Mackay et al. 2006c ? 7)
6900 Kühne et al. 2005 ?
1.9×10−2 Yaws and Yang 1992 ? 23) 92)
4.6×10−2 Abraham et al. 1990 ?

References

  • Abraham, M. H., Whiting, G. S., Fuchs, R., and Chambers, E. J.: Thermodynamics of solute transfer from water to hexadecane, J. Chem. Soc. Perkin Trans. 2, pp. 291-300, doi:10.1039/P29900000291, 1990.
  • Amoore, J. E. and Buttery, R. G.: Partition coefficient and comparative olfactometry, Chem. Senses Flavour, 3, 57-71, doi:10.1093/CHEMSE/3.1.57, 1978.
  • Buttery, R. G., Guadagni, D. G., and Okano, S.: Air—water partition coefficients of some aldehydes, J. Sci. Food Agri., 16, 691-692, doi:10.1002/JSFA.2740161110, 1965.
  • Buttery, R. G., Ling, L. C., and Guadagni, D. G.: Volatilities of aldehydes, ketones, and esters in dilute water solutions, J. Agric. Food Chem., 17, 385-389, doi:10.1021/JF60162A025, 1969.
  • Hertel, M. O., Scheuren, H., Sommer, K., and Glas, K.: Limiting separation factors and limiting activity coefficients for hexanal, 2-methylbutanal, 3-methylbutanal, and dimethylsulfide in water at (98.1 to 99.0) ° C, J. Chem. Eng. Data, 52, 148-150, doi:10.1021/JE060324O, 2007.
  • Hilal, S. H., Ayyampalayam, S. N., and Carreira, L. A.: Air-liquid partition coefficient for a diverse set of organic compounds: Henry's law constant in water and hexadecane, Environ. Sci. Technol., 42, 9231-9236, doi:10.1021/ES8005783, 2008.
  • Kühne, R., Ebert, R.-U., and Schüürmann, G.: Prediction of the temperature dependency of Henry's law constant from chemical structure, Environ. Sci. Technol., 39, 6705-6711, doi:10.1021/ES050527H, 2005.
  • Karl, T., Yeretzian, C., Jordan, A., and Lindinger, W.: Dynamic measurements of partition coefficients using proton-transfer-reaction mass spectrometry (PTR-MS), Int. J. Mass Spectrom., 223-224, 383-395, doi:10.1016/S1387-3806(02)00927-2, 2003.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds , CRC/Taylor & Francis Group, 2006c.
  • Nirmalakhandan, N., Brennan, R. A., and Speece, R. E.: Predicting Henry's law constant and the effect of temperature on Henry's law constant, Wat. Res., 31, 1471-1481, doi:10.1016/S0043-1354(96)00395-8, 1997.
  • Sieg, K., Fries, E., and Püttmann, W.: Analysis of benzene, toluene, ethylbenzene, xylenes and n-aldehydes in melted snow water via solid-phase dynamic extraction combined with gas chromatography/mass spectrometry, J. Chromatogr. A, 1178, 178-186, doi:10.1016/J.CHROMA.2007.11.025, 2008.
  • Yaws, C. L. and Yang, H.-C.: Henry's law constant for compound in water, in: Thermodynamic and Physical Property Data, edited by Yaws, C. L., pp. 181-206, Gulf Publishing Company, Houston, TX, 1992.
  • Zhou, X. and Mopper, K.: Apparent partition coefficients of 15 carbonyl compounds between air and seawater and between air and freshwater; Implications for air-sea exchange, Environ. Sci. Technol., 24, 1864-1869, doi:10.1021/ES00082A013, 1990.

Type

Table entries are sorted according to reliability of the data, listing the most reliable type first: L) literature review, M) measured, V) VP/AS = vapor pressure/aqueous solubility, R) recalculation, T) thermodynamical calculation, X) original paper not available, C) citation, Q) QSPR, E) estimate, ?) unknown, W) wrong. See Section 3.1 of Sander (2015) for further details.

Notes

7) Several references are given in the list of Henry's law constants but not assigned to specific species.
23) Value at T = 303 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
188) Data from Table 1 by Zhou and Mopper (1990) were used to redo the regression analysis. The data for acetone in their Table 2 are incorrect.
194) Value at T = 372 K.

The numbers of the notes are the same as in Sander (2015). References cited in the notes can be found here.

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