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 Please do not cite the old paper anymore.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 → Organic species with phosphorus (P) → Phosphorus (C, H, O, N, Cl, Br, S, P) → parathion

FORMULA:	C₁₀H₁₄NO₅PS
TRIVIAL NAME:	E 605
CAS RN:	56-38-2
STRUCTURE (FROM NIST):
InChIKey:	LCCNCVORNKJIRZ-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
1.2×10²		Fendinger and Glotfelty (1990)	M
7.1×10¹		Mackay et al. (2006d)	V
5.0×10¹		Siebers and Mattusch (1996)	V	12)
5.0×10¹		Siebers et al. (1994)	V
8.3×10¹		Suntio et al. (1988)	V	12)
4.2×10¹		Glotfelty et al. (1987)	V
1.6×10³		Sanders and Seiber (1983)	V	88)
8.1		Mackay and Shiu (1981)	V
1.3×10¹		Burkhard and Guth (1981)	V
1.0×10¹		Chiou et al. (1980)	V
3.3×10¹		MacBean (2012b)	X	352)
8.0×10⁻¹		Barcelo and Hennion (1997)	X	569)
3.2×10⁻¹		Goodarzi et al. (2010)	Q	570)
6.5		Hilal et al. (2008)	Q
3.4×10¹		Bartelt-Hunt et al. (2008)	?	21)

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

Barcelo, D. & Hennion, M. C.: Trace Determination of Pesticides and Their Degradation Products in Water, Elsevier Science, Amsterdam, ISBN 9780444818423 (1997).
Bartelt-Hunt, S. L., Knappe, D. R. U., & Barlaz, M. A.: A review of chemical warfare agent simulants for the study of environmental behavior, Crit. Rev. Environ. Sci. Technol., 38, 112–136, doi:10.1080/10643380701643650 (2008).
Burkhard, N. & Guth, J. A.: Rate of volatilisation of pesticides from soil surfaces; comparison of calculated results with those determined in a laboratory model system, Pestic. Sci., 12, 37–44, doi:10.1002/PS.2780120106 (1981).
Chiou, C. T., Freed, V. H., Peters, L. J., & Kohnert, R. L.: Evaporation of solutes from water, Environ. Int., 3, 231–236, doi:10.1016/0160-4120(80)90123-3 (1980).
Fendinger, N. J. & Glotfelty, D. E.: Henry’s law constants for selected pesticides, PAHs and PCBs, Environ. Toxicol. Chem., 9, 731–735, doi:10.1002/ETC.5620090606 (1990).
Glotfelty, D. E., Seiber, J. N., & Liljedahl, A.: Pesticides in fog, Nature, 325, 602–605, doi:10.1038/325602A0 (1987).
Goodarzi, M., Ortiz, E. V., Coelho, L. D. S., & Duchowicz, P. R.: Linear and non-linear relationships mapping the Henry’s law parameters of organic pesticides, Atmos. Environ., 44, 3179–3186, doi:10.1016/J.ATMOSENV.2010.05.025 (2010).
Hilal, S. H., Ayyampalayam, S. N., & 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).
MacBean, C.: The Pesticide Manual, British Crop Production Council, ISBN 9781901396867 (2012b).
Mackay, D. & Shiu, W. Y.: A critical review of Henry’s law constants for chemicals of environmental interest, J. Phys. Chem. Ref. Data, 10, 1175–1199, doi:10.1063/1.555654 (1981).
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).
Sanders, P. F. & Seiber, J. N.: A chamber for measuring volatilization of pesticides from model soil and water disposal systems, Chemosphere, 12, 999–1012, doi:10.1016/0045-6535(83)90252-7 (1983).
Siebers, J. & Mattusch, P.: Determination of airborne residues in greenhouses after application of pesticides, Chemosphere, 33, 1597–1607, doi:10.1016/0045-6535(96)00279-2 (1996).
Siebers, J., Gottschild, D., & Nolting, H.-G.: Pesticides in precipitation in northern Germany, Chemosphere, 28, 1559–1570, doi:10.1016/0045-6535(94)90249-6 (1994).
Suntio, L. R., Shiu, W. Y., Mackay, D., Seiber, J. N., & Glotfelty, D.: Critical review of Henry’s law constants for pesticides, Rev. Environ. Contam. Toxicol., 103, 1–59, doi:10.1007/978-1-4612-3850-8_1 (1988).

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

12)	Value at T = 293 K.
21)	Several references are given in the list of Henry's law constants but not assigned to specific species.
88)	Value at T = 295 K.
352)	Value given here as quoted by HSDB (2015).
569)	Value given here as quoted by Goodarzi et al. (2010).
570)	Goodarzi et al. (2010) compared several QSPR methods and found that the Levenberg-Marquardt algorithm with Bayesian regularization produces the best results. Values obtained with other methods can be found in their supplement.

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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