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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 Please do not cite the old paper anymore.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 oxygen (O) → Carbon oxides → carbon dioxide

FORMULA:CO2
CAS RN:124-38-9
STRUCTURE
(FROM NIST):
InChIKey:CURLTUGMZLYLDI-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
3.4×10−4 2300 Burkholder et al. (2019) L 1)
2.8×10−4 2600 Burkholder et al. (2019) L 71)
3.4×10−4 2300 Burkholder et al. (2015) L 1)
2.8×10−4 2600 Burkholder et al. (2015) L 71)
3.3×10−4 2400 Sander et al. (2011) L 1)
3.3×10−4 2400 Sander et al. (2006) L 1)
3.3×10−4 2300 Fernández-Prini et al. (2003) L 3)
3.4×10−4 2300 Carroll et al. (1991) L
3.4×10−4 2400 Crovetto (1991) L
3.4×10−4 2300 Yoo et al. (1986) L 1)
3.4×10−4 2400 Edwards et al. (1978) L 1)
3.3×10−4 2400 Wilhelm et al. (1977) L
3.4×10−4 2400 Weiss (1974) L 1)
3.4×10−4 2300 Zheng et al. (1997) M 382)
3.3×10−4 2400 Murray and Riley (1971) M 383)
2.4×10−4 Power and Stegall (1970) M 14)
3.3×10−4 2400 Morrison and Billett (1952) M 384)
3.3×10−4 Orcutt and Seevers (1937a) M
3.3×10−4 2300 Kunerth (1922) M
3.3×10−4 2500 Geffcken (1904) M
3.4×10−4 2400 Bohr (1899) M 385)
3.4×10−4 2500 Bunsen (1855a) M 43)
6.5×10−4 Duchowicz et al. (2020) V 187)
3.4×10−4 2400 Chen et al. (1979) R 1)
3.1×10−4 2400 Chameides (1984) T
3.3×10−4 2400 Edwards et al. (1975) T 1)
3.4×10−4 Perry and Chilton (1973) X 29)
3.4×10−4 2400 Lelieveld and Crutzen (1991) C
3.4×10−4 2400 Pandis and Seinfeld (1989) C
3.9×10−4 Nunn (1958) C 12)
2.3×10−4 Hayer et al. (2022) Q 20)
4.0 Duchowicz et al. (2020) Q
2900 Kühne et al. (2005) Q
Scharlin (1996) E 1) 386)
2400 Kühne et al. (2005) ?
4.5×10−4 Yaws (1999) ? 21)
3.3×10−4 2400 Yaws et al. (1999) ? 21)
2.6×10−4 Abraham and Weathersby (1994) ? 21)
3.3×10−4 2400 Dean and Lange (1999) ? 23) 387)
4.5×10−4 Yaws and Yang (1992) ? 21)
3.4×10−4 2400 Seinfeld (1986) ? 21)
3.3×10−4 2400 Hoffmann and Jacob (1984) ? 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

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  • 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).
  • Edwards, T. J., Newman, J., & Prausnitz, J. M.: Thermodynamics of aqueous solutions containing volatile weak electrolytes, AIChE J., 21, 248–259, doi:10.1002/AIC.690210205 (1975).
  • Edwards, T. J., Maurer, G., Newman, J., & Prausnitz, J. M.: Vapor-liquid equilibria in multicomponent aqueous solutions of volatile weak electrolytes, AIChE J., 24, 966–976, doi:10.1002/AIC.690240605 (1978).
  • Fernández-Prini, R., Alvarez, J. L., & Harvey, A. H.: Henry’s constants and vapor-liquid distribution constants for gaseous solutes in H2O and D2O at high temperatures, J. Phys. Chem. Ref. Data, 32, 903–916, doi:10.1063/1.1564818 (2003).
  • Geffcken, G.: Beiträge zur Kenntnis der Löslichkeitsbeeinflussung, Z. Phys. Chem., 49, 257–302, doi:10.1515/ZPCH-1904-4925 (1904).
  • 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).
  • Hoffmann, M. R. & Jacob, D. J.: Kinetics and mechanisms of the catalytic oxidation of dissolved sulfur dioxide in aqueous solution: An application to nighttime fog water chemistry, in: SO2, NO and NO2 Oxidation Mechanisms: Atmospheric Considerations, edited by Calvert, J. G., pp. 101–172, Butterworth Publishers, Boston, MA, ISBN 0250405687 (1984).
  • 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).
  • Kunerth, W.: Solubility of CO2 and N2O in certain solvents, Phys. Rev., 19, 512–524, doi:10.1103/PHYSREV.19.512 (1922).
  • Lelieveld, J. & Crutzen, P. J.: The role of clouds in tropospheric photochemistry, J. Atmos. Chem., 12, 229–267, doi:10.1007/BF00048075 (1991).
  • Morrison, T. J. & Billett, F.: 730. The salting-out of non-electrolytes. Part II. The effect of variation in non-electrolyte, J. Chem. Soc., pp. 3819–3822, doi:10.1039/JR9520003819 (1952).
  • Murray, C. N. & Riley, J. P.: The solubility of gases in distilled water and sea water — IV. Carbon dioxide, Deep-Sea Res. Oceanogr. Abstr., 18, 533–541, doi:10.1016/0011-7471(71)90077-5 (1971).
  • Nunn, J. F.: Respiratory measurements in the presence of nitrous oxide: storage of gas samples and chemical methods of analysis, Br. J. Anaesth., 30, 254–263, doi:10.1093/BJA/30.6.254 (1958).
  • Orcutt, F. S. & Seevers, M. H.: A method for determining the solubility of gases in pure liquids or solutions by the Van Slyke-Neill manometric apparatus, J. Biol. Chem., 117, 501–507, doi:10.1016/S0021-9258(18)74550-X (1937a).
  • Pandis, S. N. & Seinfeld, J. H.: Sensitivity analysis of a chemical mechanism for aqueous-phase atmospheric chemistry, J. Geophys. Res., 94, 1105–1126, doi:10.1029/JD094ID01P01105 (1989).
  • Perry, R. H. & Chilton, C. H.: Chemical Engineers’ Handbook, 5th edition, McGraw-Hill, Inc., ISBN 0070855471 (1973).
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  • 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).
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  • Yaws, C. L.: Chemical Properties Handbook, McGraw-Hill, Inc., ISBN 0070734011 (1999).
  • 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).
  • Yoo, K.-P., Lee, S. Y., & Lee, W. H.: Ionization and Henry’s law constants for volatile, weak electrolyte water pollutants, Korean J. Chem. Eng., 3, 67–72, doi:10.1007/BF02697525 (1986).
  • Zheng, D.-Q., Guo, T.-M., & Knapp, H.: Experimental and modeling studies on the solubility of CO2, CHClF2, CHF3, C2H2F4 and C2H4F2 in water and aqueous NaCl solutions under low pressures, Fluid Phase Equilib., 129, 197–209, doi:10.1016/S0378-3812(96)03177-9 (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 (2023) for further details.

Notes

1) A detailed temperature dependence with more than one parameter is available in the original publication. Here, only the temperature dependence at 298.15 K according to the van 't Hoff equation is presented.
3) The vapor pressure for water from Wagner and Pruss (1993) was used to calculate Hs.
12) Value at T = 293 K.
14) Value at T = 310 K.
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.
23) The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by Buck (1981). The quantities A and α from Dean and Lange (1999) were assumed to be identical.
29) Value given here as quoted by Durham et al. (1981).
43) The paper by Bunsen (1855a) was written in German. English versions with the same data were published by Bunsen (1855b) and Bunsen (1855c).
71) Solubility in sea water.
187) Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN.
382) The data from Zheng et al. (1997) were fitted to the three-parameter equation: Hscp= exp( −144.44443 +8071.06186/T +19.20040 ln(T)) mol m−3 Pa−1, with T in K.
383) The data from Murray and Riley (1971) were fitted to the three-parameter equation: Hscp= exp( −167.86941 +9146.24434/T +22.67331 ln(T)) mol m−3 Pa−1, with T in K.
384) The data from Morrison and Billett (1952) were fitted to the three-parameter equation: Hscp= exp( −126.83009 +7302.88179/T +16.55553 ln(T)) mol m−3 Pa−1, with T in K.
385) The data from Bohr (1899) were fitted to the three-parameter equation: Hscp= exp( −140.70007 +7951.73013/T +18.60961 ln(T)) mol m−3 Pa−1, with T in K.
386) As mentioned by Fogg and Sangster (2003), the fitting equation by Scharlin (1996) is erroneous. It appears that a correction factor of about 106 is necessary for consistency with their own data in Table 1.
387) The data from Dean and Lange (1999) were fitted to the three-parameter equation: Hscp= exp( −138.54120 +7859.16351/T +18.28486 ln(T)) mol m−3 Pa−1, with T in 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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