Henry's Law Constants

Rolf Sander

NEW: Version 5.0.0 has been published in October 2023

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

Errata

Contact, Imprint, Acknowledgements

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 Please do not cite the old paper anymore.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 → Inorganic species → Nitrogen (N) → ammonia

FORMULA:	NH₃
CAS RN:	7664-41-7
STRUCTURE (FROM NIST):
InChIKey:	QGZKDVFQNNGYKY-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
5.9×10⁻¹	4200	Burkholder et al. (2019)	L
5.9×10⁻¹	4200	Burkholder et al. (2015)	L
5.9×10⁻¹	4200	Sander et al. (2011)	L
5.9×10⁻¹	4200	Sander et al. (2006)	L
5.8×10⁻¹	4400	Yoo et al. (1986)	L	1)
6.0×10⁻¹	4200	Edwards et al. (1978)	L	1)
1.0×10⁻¹	1500	Wilhelm et al. (1977)	L
2.8×10⁻¹	3200	Shi et al. (1999)	M
9.9	6600	Tsuji et al. (1990)	M	63)
6.0×10⁻¹	4200	Clegg and Brimblecombe (1989)	M
5.5×10⁻¹	4100	Dasgupta and Dong (1986)	M
7.7×10⁻¹		Holzwarth et al. (1984)	M
7.4×10⁻¹	3700	Hales and Drewes (1979)	M
5.6×10⁻¹	4200	Dasgupta and Dong (1986)	T
5.7×10⁻¹	4100	Chameides (1984)	T
5.9×10⁻¹	4100	Edwards et al. (1975)	T	1)
6.1×10⁻¹		Van Krevelen et al. (1949)	X	64)
2.9×10⁻¹		Hayer et al. (2022)	Q	20)
2.7×10⁻¹	2400	Dean and Lange (1999)	?	23) 65)
5.7×10⁻¹		Abraham et al. (1990)	?
6.1×10⁻¹	4100	Seinfeld (1986)	?	21)
5.8×10⁻¹	4100	Hoffmann and Jacob (1984)	?	21)
5.2×10⁻¹		Bone et al. (1983)	?	66)

Data

The first column contains Henry's law solubility constant

H_{s}^{cp}

at the reference temperature of 298.15 K.
The second column contains the temperature dependence

d ln H_{s}^{cp} / d
(1/ T)

, also at the reference temperature.

References

Abraham, M. H., Whiting, G. S., Fuchs, R., & 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).
Bone, R., Cullis, P., & Wolfenden, R.: Solvent effects on equilibria of addition of nucleophiles to acetaldehyde and the hydrophilic character of diols, J. Am. Chem. Soc., 105, 1339–1343, doi:10.1021/JA00343A044 (1983).
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).
Chameides, W. L.: The photochemistry of a remote marine stratiform cloud, J. Geophys. Res., 89, 4739–4755, doi:10.1029/JD089ID03P04739 (1984).
Clegg, S. L. & Brimblecombe, P.: Solubility of ammonia in pure aqueous and multicomponent solutions, J. Phys. Chem., 93, 7237–7248, doi:10.1021/J100357A041 (1989).
Dasgupta, P. G. & Dong, S.: Solubility of ammonia in liquid water and generation of trace levels of standard gaseous ammonia, Atmos. Environ., 20, 565–570, doi:10.1016/0004-6981(86)90099-5 (1986).
Dean, J. A. & Lange, N. A.: Lange’s Handbook of Chemistry, Fifteenth Edition, McGraw-Hill, Inc., ISBN 9780070163843 (1999).
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).
Hales, J. M. & Drewes, D. R.: Solubility of ammonia in water at low concentrations, Atmos. Environ., 13, 1133–1147, doi:10.1016/0004-6981(79)90037-4 (1979).
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).
Holzwarth, G., Balmer, R. G., & Soni, L.: The fate of chlorine and chloramines in cooling towers, Wat. Res., 18, 1421–1427, doi:10.1016/0043-1354(84)90012-5 (1984).
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).
Seinfeld, J. H.: Atmospheric Chemistry and Physics of Air Pollution, Wiley-Interscience Publication, NY, ISBN 0471828572 (1986).
Shi, Q., Davidovits, P., Jayne, J. T., Worsnop, D. R., & Kolb, C. E.: Uptake of gas-phase ammonia. 1. Uptake by aqueous surfaces as a function of pH, J. Phys. Chem. A, 103, 8812–8823, doi:10.1021/JP991696P (1999).
Tsuji, M., Nakano, T., & T.Okuno: Desorption of odor substances from water bodies to the atmosphere, Atmos. Environ., 24, 2019–2021, doi:10.1016/0960-1686(90)90236-G (1990).
Van Krevelen, D. W., Hoftijzer, P. J., & Huntjens, F. J.: Composition and vapor pressures of aqueous solutions of ammonia, carbon dioxide and hydrogen sulfide, Recl. Trav. Chim. Pays-Bas, 68, 191–216 (1949).
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).
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).

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.
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.
63)	Tsuji et al. (1990) provide effective Henry's law constants at several pH values. Here, only the value at pH = 5.8 is shown for the (acidic) S compounds and the value at pH = 8.6 for the alkaline N compounds.
64)	Value given here as quoted by Betterton (1992).
65)	The data from Dean and Lange (1999) were fitted to the three-parameter equation: H_s^cp= exp( 206.08500 −7165.18642/T −32.18383 ln(T)) mol m⁻³ Pa⁻¹, with T in K.
66)	Bone et al. (1983) give Carter et al. (1968) as the source. However, no data were found in that reference.

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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Rolf Sander

NEW: Version 5.0.0 has been published in October 2023

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