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Henry's Law Constants

www.henrys-law.org

Rolf Sander

NEW: Version 5.0.0 has been published in October 2023

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 5.0.0) for water as solvent, Atmos. Chem. Phys., 23, 10901-12440 (2023), doi:10.5194/acp-23-10901-2023

The publication from 2023 replaces that from 2015, which is now obsolete. Please do not cite the old paper anymore.

Henry's Law Constants → Organic species with sulfur (S) → Sulfur (C, H, O, N, Cl, S) → carbon oxide sulfide

FORMULA:OCS
TRIVIAL NAME: carbonyl sulfide
CAS RN:463-58-1
STRUCTURE
(FROM NIST):
InChIKey:JJWKPURADFRFRB-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
2.0×10−4 3500 Burkholder et al. (2019) L
2.0×10−4 3500 Burkholder et al. (2015) L
2.1×10−4 3300 Warneck and Williams (2012) L
2.0×10−4 3500 Sander et al. (2011) L
2.0×10−4 3500 Sander et al. (2006) L
2.1×10−4 3000 Wilhelm et al. (1977) L
2.2×10−4 2100 De Bruyn et al. (1995b) M
1.5×10−4 3800 Johnson and Harrison (1986) M 71)
1.5×10−4 3500 Hoyt (1982) M 71)
2.4×10−4 Stock and Kuß (1917) M
2.1×10−4 3300 Winkler (1907) M
2.1×10−4 3300 Winkler (1906) M
3.4×10−4 Hempel (1901) M 621)
1.6×10−5 Duchowicz et al. (2020) V 187)
1.6×10−5 HSDB (2015) V
1.9×10−4 Yaws (2003) X 238)
2.0×10−4 Hayer et al. (2022) Q 20)
5.4 Duchowicz et al. (2020) Q
2.0×10−4 Gharagheizi et al. (2010) Q 247)
2900 Kühne et al. (2005) Q
3300 Kühne et al. (2005) ?
2.0×10−4 Yaws (1999) ? 21)
2.1×10−4 3000 Yaws et al. (1999) ? 21)
1.9×10−4 Yaws and Yang (1992) ? 21)

Data

The first column contains Henry's law solubility constant Hscp at the reference temperature of 298.15 K.
The second column contains the temperature dependence d ln Hs cp / d (1/T), also at the reference temperature.

References

  • Burkholder, J. B., Sander, S. P., Abbatt, J., Barker, J. R., Huie, R. E., Kolb, C. E., Kurylo, M. J., Orkin, V. L., Wilmouth, D. M., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 18, JPL Publication 15-10, Jet Propulsion Laboratory, Pasadena, URL https://jpldataeval.jpl.nasa.gov (2015).
  • Burkholder, J. B., Sander, S. P., Abbatt, J., Barker, J. R., Cappa, C., Crounse, J. D., Dibble, T. S., Huie, R. E., Kolb, C. E., Kurylo, M. J., Orkin, V. L., Percival, C. J., Wilmouth, D. M., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 19, JPL Publication 19-5, Jet Propulsion Laboratory, Pasadena, URL https://jpldataeval.jpl.nasa.gov (2019).
  • De Bruyn, W. J., Swartz, E., Hu, J. H., Shorter, J. A., Davidovits, P., Worsnop, D. R., Zahniser, M. S., & Kolb, C. E.: Henry’s law solubilities and Śetchenow coefficients for biogenic reduced sulfur species obtained from gas-liquid uptake measurements, J. Geophys. Res., 100, 7245–7251, doi:10.1029/95JD00217 (1995b).
  • Duchowicz, P. R., Aranda, J. F., Bacelo, D. E., & Fioressi, S. E.: QSPR study of the Henry’s law constant for heterogeneous compounds, Chem. Eng. Res. Des., 154, 115–121, doi:10.1016/J.CHERD.2019.12.009 (2020).
  • Gharagheizi, F., Abbasi, R., & Tirandazi, B.: Prediction of Henry’s law constant of organic compounds in water from a new group-contribution-based model, Ind. Eng. Chem. Res., 49, 10 149–10 152, doi:10.1021/IE101532E (2010).
  • Hayer, N., Jirasek, F., & Hasse, H.: Prediction of Henry’s law constants by matrix completion, AIChE J., 68, e17 753, doi:10.1002/AIC.17753 (2022).
  • Hempel, W.: Ueber Kohlenoxysulfid, Z. Angew. Chem., 14, 865–868, doi:10.1002/ANGE.19010143502 (1901).
  • Hoyt, S. D.: The ocean-air exchange of carbonyl sulfide (OCS) and halocarbons, Ph.D. thesis, Oregon Graduate Center, USA, URL https://digitalcollections.ohsu.edu/record/67/files/67_etd.pdf (1982).
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL https://www.nlm.nih.gov/toxnet/Accessing_HSDB_Content_from_PubChem.html (2015).
  • Johnson, J. E. & Harrison, H.: Carbonyl sulfide concentrations in the surface waters and above the Pacific Ocean, J. Geophys. Res., 91, 7883–7888, doi:10.1029/JD091ID07P07883 (1986).
  • 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).
  • 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 https://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 https://jpldataeval.jpl.nasa.gov (2011).
  • Stock, A. & Kuß, E.: Zur Kenntnis des Kohlenoxysulfides COS, Ber. Dtsch. Chem. Ges., 50, 159–164, doi:10.1002/CBER.19170500125 (1917).
  • Warneck, P. & 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).
  • Wilhelm, E., Battino, R., & Wilcock, R. J.: Low-pressure solubility of gases in liquid water, Chem. Rev., 77, 219–262, doi:10.1021/CR60306A003 (1977).
  • Winkler, L. W.: Gesetzmässigkeit bei der Absorption der Gase in Flüssigkeiten, Z. Phys. Chem., 55, 344–354, doi:10.1515/ZPCH-1906-5518 (1906).
  • Winkler, L.: A gázok oldhatósága vzben (Solubility of gases in water), Math. Termész. Értesitö, 25, 86–108 (1907).
  • Yaws, C. L.: Chemical Properties Handbook, McGraw-Hill, Inc., ISBN 0070734011 (1999).
  • Yaws, C. L.: Yaws’ Handbook of Thermodynamic and Physical Properties of Chemical Compounds, Knovel: Norwich, NY, USA, ISBN 1591244447 (2003).
  • 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, ISBN 0884150313 (1992).
  • Yaws, C. L., Hopper, J. R., Wang, X., Rathinsamy, A. K., & Pike, R. W.: Calculating solubility & Henry’s law constants for gases in water, Chem. Eng., pp. 102–105 (1999).

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 (2023) for further details.

Notes

20) Calculated using machine learning matrix completion methods (MCMs).
21) Several references are given in the list of Henry's law constants but not assigned to specific species.
71) Solubility in sea water.
187) Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN.
238) Value given here as quoted by Gharagheizi et al. (2010).
247) Calculated using a combination of a group contribution method and neural networks.
621) Value at T = 287 K.

The numbers of the notes are the same as in Sander (2023). References cited in the notes can be found here.

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