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Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany


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Henry's Law Constants

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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 ConstantsOrganic species with oxygen (O)Aldehydes (RCHO) → ethanal

FORMULA:CH3CHO
TRIVIAL NAME: acetaldehyde
CAS RN:75-07-0
STRUCTURE
(FROM NIST):
InChIKey:IKHGUXGNUITLKF-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.3×10−1 5900 Sander et al. 2011 L
1.3×10−1 5900 Sander et al. 2006 L
1.3×10−1 5700 Staudinger and Roberts 2001 L
1.4×10−1 5600 Staudinger and Roberts 1996 L
1.5×10−1 6400 Ji and Evans 2007 M
1.1×10−1 Straver and de Loos 2005 M
1.5×10−1 Marin et al. 1999 M
1.3×10−1 5700 Benkelberg et al. 1995 M
1.7×10−1 5000 Zhou and Mopper 1990 M 188)
7.1×10−2 Guitart et al. 1989 M 19)
1.2×10−1 6300 Betterton and Hoffmann 1988 M 192)
1.2×10−1 5800 Snider and Dawson 1985 M
2.5×10−1 Vitenberg et al. 1974 M 147)
1.5×10−1 Buttery et al. 1969 M
1.2×10−1 Marin et al. 1999 V
1.2×10−1 Hwang et al. 1992 V
1.7×10−2 4500 Janini and Quaddora 1986 X 116)
1.7×10−1 4700 Goldstein 1982 X 116)
1.5×10−1 Gaffney and Senum 1984 X 153)
1.5×10−1 Pierotti et al. 1959 X 193)
1.1×10−1 Hilal et al. 2008 Q
5200 Kühne et al. 2005 Q
1.4×10−1 Marin et al. 1999 Q
1.5×10−1 Nirmalakhandan et al. 1997 Q
1.5×10−1 Mackay et al. 2006c ? 7)
5800 Kühne et al. 2005 ?
9.8×10−2 Yaws and Yang 1992 ? 92)
1.5×10−1 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.
  • Benkelberg, H.-J., Hamm, S., and Warneck, P.: Henry's law coefficients for aqueous solutions of acetone, acetaldehyde and acetonitrile, and equilibrium constants for the addition compounds of acetone and acetaldehyde with bisulfite, J. Atmos. Chem., 20, 17-34, doi:10.1007/BF01099916, 1995.
  • Betterton, E. A. and Hoffmann, M. R.: Henry's law constants of some environmentally important aldehydes, Environ. Sci. Technol., 22, 1415-1418, doi:10.1021/ES00177A004, 1988.
  • 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.
  • Gaffney, J. S. and Senum, G. I.: Peroxides, peracids, aldehydes, and PANs and their links to natural and anthropogenic organic sources, in: Gas-Liquid Chemistry of Natural Waters, edited by Newman, L., pp. 5-1-5-7, NTIS TIC-4500, UC-11, BNL 51757 Brookhaven National Laboratory, 1984.
  • Goldstein, D. J.: Air and steam stripping of toxic pollutants, Appendix 3: Henry's law constants, Tech. Rep. EPA-68-03-002, Industrial Environmental Research Laboratory, Cincinnati, OH, USA, 1982.
  • Guitart, R., Puigdemont, F., and Arboix, M.: Rapid headspace gas chromatographic method for the determination of liquid/gas partition coefficients, J. Chromatogr., 491, 271-280, doi:10.1016/S0378-4347(00)82845-5, 1989.
  • 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.
  • Hwang, Y.-L., Olson, J. D., and Keller, II, G. E.: Steam stripping for removal of organic pollutants from water. 2. Vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 31, 1759-1768, doi:10.1021/IE00007A022, 1992.
  • Janini, G. M. and Quaddora, L. A.: Determination of activity coefficients of oxygenated hydrocarbons by liquid-liquid chromatography, J. Liq. Chromatogr., 9, 39-53, doi:10.1080/01483918608076621, 1986.
  • 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.
  • 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.
  • Marin, M., Baek, I., and Taylor, A. J.: Volatile release from aqueous solutions under dynamic headspace dilution conditions, J. Agric. Food Chem., 47, 4750-4755, doi:10.1021/JF990470G, 1999.
  • 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.
  • Pierotti, G. J., Deal, C. H., and Derr, E. L.: Activity coefficients and molecular structure, Ind. Eng. Chem., 51, 95-102, (data in supplement, document no. 5782, American Documentation Institute, Library of Congress, Washington, D.C.), 1959.
  • Sander, S. P., Friedl, R. R., Golden, D. M., Kurylo, M. J., Moortgat, G. K., Keller-Rudek, H., Wine, P. H., Ravishankara, A. R., Kolb, C. E., Molina, M. J., Finlayson-Pitts, B. J., Huie, R. E., and Orkin, V. L.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15, JPL Publication 06-2, Jet Propulsion Laboratory, Pasadena, CA, http://jpldataeval.jpl.nasa.gov, 2006.
  • Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Moortgat, G. K., Orkin, V. L., and Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, http://jpldataeval.jpl.nasa.gov, 2011.
  • Snider, J. R. and Dawson, G. A.: Tropospheric light alcohols, carbonyls, and acetonitrile: Concentrations in the southwestern United States and Henry's law data, J. Geophys. Res., 90D, 3797-3805, doi:10.1029/JD090ID02P03797, 1985.
  • Staudinger, J. and Roberts, P. V.: A critical review of Henry's law constants for environmental applications, Crit. Rev. Environ. Sci. Technol., 26, 205-297, doi:10.1080/10643389609388492, 1996.
  • Staudinger, J. and Roberts, P. V.: A critical compilation of Henry's law constant temperature dependence relations for organic compounds in dilute aqueous solutions, Chemosphere, 44, 561-576, doi:10.1016/S0045-6535(00)00505-1, 2001.
  • Straver, E. J. M. and de Loos, T. W.: Determination of Henry's law constants and activity coefficients at infinite dilution of flavor compounds in water at 298 K with a gas-chromatographic method, J. Chem. Eng. Data, 50, 1171-1176, doi:10.1021/JE0495942, 2005.
  • Vitenberg, A. G., Ioffe, B. V., and Borisov, V. N.: Application of phase equilibria to gas chromatographic trace analysis, Chromatographia, 7, 610-619, doi:10.1007/BF02269053, 1974.
  • 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.
19) Value at T = 310 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
116) Value given here as quoted by Staudinger and Roberts (1996).
147) Value at T = 283 K.
153) Value given here as quoted by Gaffney et al. (1987).
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.
192) Effective value that takes into account the hydration of the aldehyde:
H= ([RCHO]+[RCH(OH)2])/p(RCHO)
193) Value given here as quoted by Bone et al. (1983).

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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