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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

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 ConstantsOrganic species with sulfur (S)Sulfur (C, H, O, N, Cl, S) → dimethyl sulfide

FORMULA:CH3SCH3
TRIVIAL NAME: DMS
CAS RN:75-18-3
STRUCTURE
(FROM NIST):
InChIKey:QMMFVYPAHWMCMS-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
5.6×10−3 3500 Warneck and Williams 2012 L
5.3×10−3 3500 Sander et al. 2011 L
5.3×10−3 3500 Sander et al. 2006 L
5.2×10−3 3600 Fogg and Sangster 2003 L
5.3×10−3 3500 Staudinger and Roberts 2001 L
4.6×10−3 Schuhfried et al. 2011 M
4.8×10−3 2800 Falabella 2007 M 89) 130)
5.2×10−3 3600 Coquelet and Richon 2005 M
5.5×10−3 3800 Iliuta and Larachi 2005 M
4.9×10−3 Straver and de Loos 2005 M
6.4×10−3 4100 Barcellos da Rosa et al. 2003 M
4.9×10−3 Pollien et al. 2003 M
4.7×10−3 3700 Gershenzon et al. 2001 M
1.6×10−2 Marin et al. 1999 M
4.2×10−3 4300 Wong and Wang 1997 M
4.7×10−3 3100 De Bruyn et al. 1995b M
5.5×10−3 3500 Dacey et al. 1984 M
5.6×10−3 4000 Przyjazny et al. 1983 M
6.1×10−3 Vitenberg et al. 1975 M 9)
1.6×10−3 Lovelock et al. 1972 M
Mackay et al. 2006d V 221)
4.2×10−3 Marin et al. 1999 V
1.3×10−1 Mackay et al. 1995 V
5.4×10−3 Hine and Mookerjee 1975 V
5.5×10−3 Hine and Weimar 1965 V
7.0×10−3 Vitenberg et al. 1975 R 9)
6.0×10−3 3700 Bagno et al. 1991 T 196)
6.1×10−3 Gaffney and Senum 1984 X 153)
4.4×10−3 Cline and Bates 1983 C 127)
1.2×10−2 Hilal et al. 2008 Q
7.2×10−3 Hertel et al. 2007 Q 194)
3100 Kühne et al. 2005 Q
5.0×10−3 Marin et al. 1999 Q
6.5×10−3 Nirmalakhandan et al. 1997 Q
3500 Kühne et al. 2005 ?
1.7×10−3 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.
  • Bagno, A., Lucchini, V., and Scorrano, G.: Thermodynamics of protonation of ketones and esters and energies of hydration of their conjugate acids, J. Phys. Chem., 95, 345-352, doi:10.1021/J100154A063, 1991.
  • Barcellos da Rosa, M., Behnke, W., and Zetzsch, C.: Study of the heterogeneous reaction of O3 with CH3SCH3 using the wetted-wall flowtube technique, Atmos. Chem. Phys., 3, 1665-1673, doi:10.5194/ACP-3-1665-2003, 2003.
  • Cline, J. D. and Bates, T. S.: Dimethyl sulfide in the equatorial Pacific Ocean: A natural source of sulfur to the atmosphere, Geophys. Res. Lett., 10, 949-952, doi:10.1029/GL010I010P00949, 1983.
  • Coquelet, C. and Richon, D.: Measurement of Henry's law constants and infinite dilution activity coefficients of propyl mercaptan, butyl mercaptan, and dimethyl sulfide in methyldiethanolamine (1) + water (2) with w1 = 0.50 using a gas stripping technique, J. Chem. Eng. Data, 50, 2053-2057, doi:10.1021/JE050268B, 2005.
  • Dacey, J. W. H., Wakeham, S. G., and Howes, B. L.: Henry's law constants for dimethylsulfide in freshwater and seawater, Geophys. Res. Lett., 11, 991-994, doi:10.1029/GL011I010P00991, 1984.
  • De Bruyn, W. J., Swartz, E., Hu, J. H., Shorter, J. A., Davidovits, P., Worsnop, D. R., Zahniser, M. S., and Kolb, C. E.: Henry's law solubilities and Śetchenow coefficients for biogenic reduced sulfur species obtained from gas-liquid uptake measurements, J. Geophys. Res., 100D, 7245-7251, doi:10.1029/95JD00217, 1995b.
  • Falabella, J. B.: Air-water partitioning of volatile organic compounds and greenhouse gases in the presence of salts, Ph.D. thesis, Georgia Institute of Technology, https://smartech.gatech.edu/handle/1853/16221, 2007.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • 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.
  • Gershenzon, M., Davidovits, P., Jayne, J. T., Kolb, C. E., and Worsnop, D. R.: Simultaneous uptake of DMS and ozone on water, J. Phys. Chem. A, 105, 7031-7036, doi:10.1021/JP010696Y, 2001.
  • 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.
  • Hine, J. and Mookerjee, P. K.: The intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions, J. Org. Chem., 40, 292-298, doi:10.1021/JO00891A006, 1975.
  • Hine, J. and Weimar, Jr., R. D.: Carbon basicity, J. Am. Chem. Soc., 87, 3387-3396, doi:10.1021/JA01093A018, 1965.
  • Iliuta, M. C. and Larachi, F.: Gas-liquid partition coefficients and Henry's law constants of DMS in aqueous solutions of Fe(II) chelate complexes using the static headspace method, J. Chem. Eng. Data, 50, 1700-1705, doi:10.1021/JE0501686, 2005.
  • 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.
  • Lovelock, J. E., Maggs, R. J., and Rasmussen, R. A.: Atmospheric dimethyl sulphide and the natural sulphur cycle, Nature, 237, 452-453, doi:10.1038/237452A0, 1972.
  • Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Oxygen, Nitrogen, and Sulfur Containing Compounds , Lewis Publishers, Boca Raton, 1995.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Nitrogen and Sulfur Containing Compounds and Pesticides , CRC/Taylor & Francis Group, 2006d.
  • 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.
  • Pollien, P., Jordan, A., Lindinger, W., and Yeretzian, C.: Liquid-air partitioning of volatile compounds in coffee: dynamic measurements using proton-transfer-reaction mass spectrometry, Int. J. Mass Spectrom., 228, 69-80, doi:10.1016/S1387-3806(03)00197-0, 2003.
  • Przyjazny, A., Janicki, W., Chrzanowski, W., and Staszewski, R.: Headspace gas chromatographic determination of distribution coefficients of selected organosulphur compounds and their dependence on some parameters, J. Chromatogr., 280, 249-260, doi:10.1016/S0021-9673(00)91567-X, 1983.
  • 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.
  • Schuhfried, E., Biasioli, F., Aprea, E., Cappellin, L., Soukoulis, C., Ferrigno, A., Märk, T. D., and Gasperi, F.: PTR-MS measurements and analysis of models for the calculation of Henry's law constants of monosulfides and disulfides, Chemosphere, 83, 311-317, doi:10.1016/J.CHEMOSPHERE.2010.12.051, 2011.
  • 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., Dimitrova, Z. S., and Butaeva, I. L.: Determination of gas-liquid partition coefficients by means of gas chromatographic analysis, J. Chromatogr., 112, 319-327, doi:10.1016/S0021-9673(00)99964-3, 1975.
  • Warneck, P. and Williams, J.: The Atmospheric Chemist's Companion: Numerical Data for Use in the Atmospheric Sciences, Springer Verlag, doi:10.1007/978-94-007-2275-0, 2012.
  • Wong, P. K. and Wang, Y. H.: Determination of the Henry's law constant for dimethyl sulfide in seawater, Chemosphere, 35, 535-544, doi:10.1016/S0045-6535(97)00118-5, 1997.

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

9) Value at T = 293 K.
89) Measured at high temperature and extrapolated to T = 298.15 K.
127) Solubility in sea water.
130) Values for salt solutions are also available from this reference.
153) Value given here as quoted by Gaffney et al. (1987).
194) Value at T = 372 K.
196) Calculated under the assumption that ∆G and ∆H are based on [mol/l] and [atm] as the standard states.
221) Mackay et al. (2006d) list a vapor pressure p, a solubility c, and a Henry's law constant calculated as p/c. However, the data are internally inconsistent and deviate by more than 10 %.

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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