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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) → pentanal

FORMULA:C4H9CHO
TRIVIAL NAME: valeraldehyde
CAS RN:110-62-3
STRUCTURE
(FROM NIST):
InChIKey:HGBOYTHUEUWSSQ-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
6.8×10−2 Liu et al. 2015 M 126)
3.9×10−2 Kim and Kim 2014 M
7.1×10−2 6100 Ji and Evans 2007 M
6.3×10−2 6300 Zhou and Mopper 1990 M 188)
6.7×10−2 Buttery et al. 1969 M
5.8×10−2 Buttery et al. 1965 M
6.4×10−2 Amoore and Buttery 1978 V
7.2×10−2 Hilal et al. 2008 Q
6200 Kühne et al. 2005 Q
7.3×10−2 Nirmalakhandan et al. 1997 Q
6.2×10−2 Meylan and Howard 1991 Q
6.7×10−2 Mackay et al. 2006c ? 7)
5500 Kühne et al. 2005 ?
4.4×10−2 Yaws and Yang 1992 ? 23) 92)
6.7×10−2 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.
  • 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.
  • Ji, C. and Evans, E. M.: Using an internal standard method to determine Henry's law constants, Environ. Toxicol. Chem., 26, 231-236, doi:10.1897/06-339R.1, 2007.
  • 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.
  • Kim, Y.-H. and Kim, K.-H.: Recent advances in thermal desorption-gas chromatography-mass spectrometery method to eliminate the matrix effect between air and water samples: Application to the accurate determination of Henry's law constant, J. Chromatogr. A, 1342, 78-85, doi:10.1016/J.CHROMA.2014.03.040, 2014.
  • Liu, X., Guo, Z., Roache, N. F., Mocka, C. A., Allen, M. R., and Mason, M. A.: Henry's law constant and overall mass transfer coefficient for formaldehyde emission from small water pools under simulated indoor environmental conditions, Environ. Sci. Technol., 49, 1603-1610, doi:10.1021/ES504540C, 2015.
  • 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.
  • Meylan, W. M. and Howard, P. H.: Bond contribution method for estimating Henry's law constants, Environ. Toxicol. Chem., 10, 1283-1293, doi:10.1002/ETC.5620101007, 1991.
  • 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.
  • 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.
126) Value at T = 296 K.
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.

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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