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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)Ketones (RCOR) → propanone

FORMULA:CH3COCH3
TRIVIAL NAME: acetone
CAS RN:67-64-1
STRUCTURE
(FROM NIST):
InChIKey:CSCPPACGZOOCGX-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.7×10−1 5500 Sander et al. (2011) L
3.3×10−1 5300 Poulain et al. (2010) L
2.8×10−1 5100 Sander et al. (2006) L
2.6×10−1 5700 Fogg and Sangster (2003) L
2.8×10−1 4800 Staudinger and Roberts (2001) L
3.0×10−1 4600 Staudinger and Roberts (1996) L
2.9×10−1 5100 Poulain et al. (2010) M
2.6×10−1 5400 Ji and Evans (2007) M
2.4×10−1 4200 Falabella et al. (2006) M 89) 130)
2.6×10−1 6400 Strekowski and George (2005) M
2.4×10−1 Straver and de Loos (2005) M
2.4×10−1 4300 Chai et al. (2005) M 89)
1.0×10−1 Ayuttaya et al. (2001) M 131)
9.4×10−4 Ayuttaya et al. (2001) M 132)
5.3×10−1 Ayuttaya et al. (2001) M 133)
2.7×10−1 5300 Benkelberg et al. (1995) M
2.7×10−1 Hoff et al. (1993) M
3.2×10−1 5800 Betterton (1991) M
3.5×10−1 3800 Zhou and Mopper (1990) M 188)
1.2×10−1 Guitart et al. (1989) M 19)
1.4×10−1 Hellmann (1987) M 31)
2.5×10−1 4800 Snider and Dawson (1985) M
3.2×10−1 5400 Schoene and Steinhanses (1985) M
1.5×10−1 Sato and Nakajima (1979a) M 19)
2.5×10−1 Vitenberg et al. (1975) M
2.5×10−1 Vitenberg et al. (1974) M
3.2×10−1 Vitenberg et al. (1974) M
2.5×10−1 Buttery et al. (1969) M
3.1×10−1 Nelson and Hoff (1968) M 115)
2.8×10−1 Burnett (1963) M
1.8×10−2 Abraham and Acree (2007) V
2.6×10−1 Hwang et al. (1992) V
2.4×10−1 Rathbun and Tai (1982) V
3.1×10−2 Hine and Weimar (1965) R
3.0×10−1 Butler and Ramchandani (1935) R
2.5×10−1 4900 Bagno et al. (1991) T 196)
2.2×10−1 5000 Schaffer and Daubert (1969) X 116)
3.0×10−2 3300 Janini and Quaddora (1986) X 116)
3.0×10−1 Gaffney and Senum (1984) X 153)
2.7×10−1 Cabani et al. (1981) C
1.4×10−1 Hilal et al. (2008) Q
5500 Kühne et al. (2005) Q
2.1×10−1 Nirmalakhandan et al. (1997) Q
2.5×10−1 Taft et al. (1985) Q
2.5×10−1 Mackay et al. (2006c) ? 7)
5100 Kühne et al. (2005) ?
1.8×10−1 Yaws et al. (1998) ?
2.3×10−1 Yaws and Yang (1992) ? 92)
2.5×10−1 Abraham et al. (1990) ?

References

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  • Benkelberg, H.-J., Hamm, S., & 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.: The partitioning of ketones between the gas and aqueous phases, Atmos. Environ., 25A, 1473–1477, doi:10.1016/0960-1686(91)90006-S (1991).
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  • Falabella, J. B., Nair, A., & Teja, A. S.: Henry’s constants of 1-alkanols and 2-ketones in salt solutions, J. Chem. Eng. Data, 51, 1940–1945, doi:10.1021/JE0600956 (2006).
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  • Guitart, R., Puigdemont, F., & 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).
  • Hellmann, H.: Model tests on volatilization of organic trace substances in surfaces waters, Fresenius J. Anal. Chem., 328, 475–479, doi:10.1007/BF00475967 (1987).
  • Hilal, S. H., Ayyampalayam, S. N., & 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).
  • Hine, J. & Weimar, Jr., R. D.: Carbon basicity, J. Am. Chem. Soc., 87, 3387–3396, doi:10.1021/JA01093A018 (1965).
  • Hoff, J. T., Mackay, D., Gillham, R., & Shiu, W. Y.: Partitioning of organic chemicals at the air-water interface in environmental systems, Environ. Sci. Technol., 27, 2174–2180, doi:10.1021/ES00047A026 (1993).
  • Hwang, Y.-L., Olson, J. D., & 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. & 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. & 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., & 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., & 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).
  • Nelson, P. E. & Hoff, J. E.: Food volatiles: Gas chromatographic determination of partition coefficients in water-lipid systems, Int. J. Mass Spectrom., 228, 479–482, doi:10.1111/J.1365-2621.1968.TB03659.X (1968).
  • Nirmalakhandan, N., Brennan, R. A., & 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).
  • Poulain, L., Katrib, Y., Isikli, E., Liu, Y., Wortham, H., Mirabel, P., Le Calvé, S., & Monod, A.: In-cloud multiphase behaviour of acetone in the troposphere: Gas uptake, Henry’s law equilibrium and aqueous phase photooxidation, Chemosphere, 81, 312–320, doi:10.1016/J.CHEMOSPHERE.2010.07.032 (2010).
  • Rathbun, R. E. & Tai, D. Y.: Volatilization of ketones from water, Water Air Soil Pollut., 17, 281–293, doi:10.1007/BF00283158 (1982).
  • 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., & 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, URL 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., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, URL http://jpldataeval.jpl.nasa.gov (2011).
  • Sato, A. & Nakajima, T.: Partition coefficients of some aromatic hydrocarbons and ketones in water, blood and oil, Br. J. Ind. Med., 36, 231–234, doi:10.1136/OEM.36.3.231 (1979a).
  • Schaffer, D. L. & Daubert, T. E.: Gas-liquid chromatographic determination of solution properties of oxygenated compounds in water, Anal. Chem., 41, 1585–1589, doi:10.1021/AC60281A016 (1969).
  • Schoene, K. & Steinhanses, J.: Determination of Henry’s law constant by automated head space-gas chromatography, Fresenius J. Anal. Chem., 321, 538–543, doi:10.1007/BF00464360 (1985).
  • Snider, J. R. & 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. & 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. & 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. & 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).
  • Strekowski, R. S. & George, C.: Measurement of Henry’s law constants for acetone, 2-butanone, 2,3-butanedione and isobutyraldehyde using a horizontal flow reactor, J. Chem. Eng. Data, 50, 804–810, doi:10.1021/JE034137R (2005).
  • Taft, R. W., Abraham, M. H., Doherty, R. M., & Kamlet, M. J.: The molecular properties governing solubilities of organic nonelectrolytes in water, Nature, 313, 384–386, doi:10.1038/313384A0 (1985).
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  • Yaws, C. L. & 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).
  • Yaws, C. L., Sheth, S. D., & Han, M.: Using solubility and Henry’s law constant data for ketones in water, Pollut. Eng., 30, 44–46 (1998).
  • Zhou, X. & 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.
31) Value at T = 295 K.
89) Measured at high temperature and extrapolated to T = 298.15 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
115) Value at T = 301 K.
116) Value given here as quoted by Staudinger and Roberts (1996).
130) Values for salt solutions are also available from this reference.
131) Value obtained by applying the EPICS method, see Ayuttaya et al. (2001) for details.
132) Value obtained by applying the static cell (linear form) method, see Ayuttaya et al. (2001) for details.
133) Value obtained by applying the direct phase concentration ratio method, see Ayuttaya et al. (2001) for details.
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.
196) Calculated under the assumption that ∆G and ∆H are based on [mol/l] and [atm] as the standard states.

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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