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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 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 Please do not cite the old paper anymore.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 disulfide

FORMULA:CS2
CAS RN:75-15-0
STRUCTURE
(FROM NIST):
InChIKey:QGJOPFRUJISHPQ-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
6.1×10−4 4300 Burkholder et al. (2019) L
6.1×10−4 4300 Burkholder et al. (2015) L
6.1×10−4 3900 Warneck and Williams (2012) L
6.1×10−4 4300 Sander et al. (2011) L
6.1×10−4 4300 Sander et al. (2006) L
5.5×10−4 3700 Plyasunova et al. (2004) L
5.7×10−4 3800 Hiatt (2013) M
5.4×10−4 2800 De Bruyn et al. (1995b) M
6.2×10−4 3800 Elliott (1989) M
5.4×10−4 4300 Rex (1906) M
5.7×10−4 Mackay et al. (2006d) V
5.7×10−4 Mackay et al. (1995) V
8.0×10−4 Hwang et al. (1992) V
4.5×10−4 4100 Winkler (1906) V
5.1×10−4 Yaws (2003) X 238)
7.5×10−4 1200 Goldstein (1982) X 299)
5.0×10−4 Hayer et al. (2022) Q 20)
1.3×10−2 Gharagheizi et al. (2012) Q
5.1×10−4 Gharagheizi et al. (2010) Q 247)
9.4×10−5 Yaws (1999) ? 21)
3.2×10−4 Abraham and Weathersby (1994) ? 21)
5.1×10−4 Yaws and Yang (1992) ? 21)
Schäfer and Lax (1962) ? 810)
Booth and Jolley (1943) ? 811)
Booth and Jolley (1943) ? 812)

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

  • Abraham, M. H. & Weathersby, P. K.: Hydrogen bonding. 30. Solubility of gases and vapors in biological liquids and tissues, J. Pharm. Sci., 83, 1450–1456, doi:10.1002/JPS.2600831017 (1994).
  • Booth, N. & Jolley, L. J.: The removal of organic sulphur compounds from gases, J. Soc. Chem. Ind., 62, 87–88, doi:10.1002/JCTB.5000620603 (1943).
  • 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).
  • Elliott, S.: The solubility of carbon disulfide vapor in natural aqueous systems, Atmos. Environ., 23, 1977–1980, doi:10.1016/0004-6981(89)90523-4 (1989).
  • 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).
  • Gharagheizi, F., Eslamimanesh, A., Mohammadi, A. H., & Richon, D.: Empirical method for estimation of Henry’s law constant of non-electrolyte organic compounds in water, J. Chem. Thermodyn., 47, 295–299, doi:10.1016/J.JCT.2011.11.015 (2012).
  • 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).
  • 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).
  • Hiatt, M. H.: Determination of Henry’s law constants using internal standards with benchmark values, J. Chem. Eng. Data, 58, 902–908, doi:10.1021/JE3010535 (2013).
  • 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).
  • Mackay, D., Shiu, W. Y., & 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, ISBN 1566700353 (1995).
  • Mackay, D., Shiu, W. Y., Ma, K. C., & 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, doi:10.1201/9781420044393 (2006d).
  • Plyasunova, N. V., Plyasunov, A. V., & Shock, E. L.: Group contribution values for the thermodynamic functions of hydration at 298.15 K, 0.1 MPa. 2. aliphatic thiols, alkyl sulfides, and polysulfides, J. Chem. Eng. Data, 50, 246–253, doi:10.1021/JE0497045 (2004).
  • Rex, A.: Über die Löslichkeit der Halogenderivate der Kohlenwasserstoffe in Wasser, Z. Phys. Chem., 55, 355–370, doi:10.1515/ZPCH-1906-5519 (1906).
  • 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).
  • Schäfer, K. & Lax, E., eds.: Landolt-Börnstein. Zahlenwerte und Funktionen aus Physik, Chemie, Astronomie, Geophysik und Technik. II. Band. Eigenschaften der Materie in ihren Aggregatzuständen. 2. Teil. Gleichgewichte ausser Schmelzgleichgewichten. Bandteil b. Lösungsgleichgewichte I, Springer Verlag, Berlin-Göttingen-Heidelberg, ISBN 9783540028680 (1962).
  • 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).
  • Winkler, L. W.: Gesetzmässigkeit bei der Absorption der Gase in Flüssigkeiten, Z. Phys. Chem., 55, 344–354, doi:10.1515/ZPCH-1906-5518 (1906).
  • 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).

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.
238) Value given here as quoted by Gharagheizi et al. (2010).
247) Calculated using a combination of a group contribution method and neural networks.
299) Value given here as quoted by Staudinger and Roberts (1996).
810) Schäfer and Lax (1962) present data based on Booth and Jolley (1943). However, these data appear to be incorrect.
811) Booth and Jolley (1943) converted data from Rex (1906) to another unit. However, this was apparently not done correctly.
812) Booth and Jolley (1943) present data from Chancel and Parmentier (1885). However, in that paper only the solubility at an unknown partial pressure of CS2 was measured.

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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