Henry's Law Constants

Rolf Sander

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 4.0) for water as solvent, Atmos. Chem. Phys., 15, 4399-4981 (2015), doi:10.5194/acp-15-4399-2015

A new version is currently under peer review:

R. Sander: Compilation of Henry's law constants (version 5.0.0-rc.0) for water as solvent, doi:10.5194/egusphere-2023-1584

The database on this web page will be updated to version 5.0.0 when the peer review of the manuscript is completed.

Henry's Law Constants → Organic species with chlorine (Cl) → Chlorocarbons with nitrogen (C, H, O, N, Cl) → alachlor

FORMULA:	C₁₄H₂₀ClNO₂
CAS RN:	15972-60-8
STRUCTURE (FROM NIST):
InChIKey:	XCSGPAVHZFQHGE-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
6.7×10²		Muir et al. (2004)	L	144)
9.9×10²		Muir et al. (2004)	L	143)
1.4×10²	9200	Gautier et al. (2003)	M
9.0×10²		Fendinger et al. (1989)	M	126)
1.2×10³		Fendinger and Glotfelty (1988)	M	126)
4.5×10²		Mackay et al. (2006d)	V
1.6×10²		Suntio et al. (1988)	V	9)
3.1×10²		Glotfelty et al. (1987)	V
3.1×10³		Hilal et al. (2008)	Q
	11000	Kühne et al. (2005)	Q
8.2×10⁴		Meylan and Howard (1991)	Q
	9300	Kühne et al. (2005)	?
3.1×10²		Chesters et al. (1989)	?

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

Chesters, G., Simsiman, G. V., Levy, J., Alhajjar, B. J., Fathulla, R. N., & Harkin, J. M.: Environmental fate of alachlor and metolachlor, Rev. Environ. Contam. Toxicol., 110, 1–74, doi:10.1007/978-1-4684-7092-5_1 (1989).
Fendinger, N. J. & Glotfelty, D. E.: A laboratory method for the experimental determination of air-water Henry’s law constants for several pesticides, Environ. Sci. Technol., 22, 1289–1293, doi:10.1021/ES00176A007 (1988).
Fendinger, N. J., Glotfelty, D. E., & Freeman, H. P.: Comparison of two experimental techniques for determining air/water Henry’s law constants, Environ. Sci. Technol., 23, 1528–1531, doi:10.1021/ES00070A013 (1989).
Gautier, C., Le Calvé, S., & Mirabel, P.: Henry’s law constants measurements of alachlor and dichlorvos between 283 and 298 K, Atmos. Environ., 37, 2347–2353, doi:10.1016/S1352-2310(03)00155-9 (2003).
Glotfelty, D. E., Seiber, J. N., & Liljedahl, A.: Pesticides in fog, Nature, 325, 602–605, doi:10.1038/325602A0 (1987).
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).
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).
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 (2006d).
Meylan, W. M. & Howard, P. H.: Bond contribution method for estimating Henry’s law constants, Environ. Toxicol. Chem., 10, 1283–1293, doi:10.1002/ETC.5620101007 (1991).
Muir, D. C. G., Teixeira, C., & Wania, F.: Empirical and modeling evidence of regional atmospheric transport of current-use pesticides, Environ. Toxicol. Chem., 23, 2421–2432, doi:10.1897/03-457 (2004).
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 (2015) for further details.

Notes

9)	Value at T = 293 K.
126)	Value at T = 296 K.
143)	Literature-derived value.
144)	Final adjusted value.

The numbers of the notes are the same as in Sander (2015). References cited in the notes can be found here.

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