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) → Oxygenated chlorocarbons (C, H, O, Cl) → 2,4-dichlorophenol

FORMULA:	C₆H₄Cl₂O
CAS RN:	120-83-2
STRUCTURE (FROM NIST):
InChIKey:	HFZWRUODUSTPEG-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
3.4		Sheikheldin et al. (2001)	M	9)
6.6	6800	Tabai et al. (1997)	M	89)
2.8		HSDB (2015)	V
2.3		Mackay et al. (2006c)	V
2.3		Mackay et al. (1995)	V
2.3		Shiu et al. (1994)	V
9.0		Leuenberger et al. (1985)	V	167)
1.5		Goldstein (1982)	X	181)
1.5	4900	Goldstein (1982)	X	116)
1.8		Ryan et al. (1988)	C
3.2×10¹		Zhang et al. (2010)	Q	107) 108)
8.0		Zhang et al. (2010)	Q	107) 109)
1.1		Zhang et al. (2010)	Q	107) 110)
4.6		Zhang et al. (2010)	Q	107) 111)
8.2		Hilal et al. (2008)	Q
	6300	Kühne et al. (2005)	Q
	7400	Kühne et al. (2005)	?

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

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).
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).
HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm (2015).
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).
Leuenberger, C., Ligocki, M. P., & Pankow, J. F.: Trace organic compounds in rain: 4. Identities, concentrations, and scavenging mechanisms for phenols in urban air and rain, Environ. Sci. Technol., 19, 1053–1058, doi:10.1021/ES00141A005 (1985).
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 (1995).
Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds, CRC/Taylor & Francis Group (2006c).
Ryan, J. A., Bell, R. M., Davidson, J. M., & O’Connor, G. A.: Plant uptake of non-ionic organic chemicals from soils, Chemosphere, 17, 2299–2323, doi:10.1016/0045-6535(88)90142-7 (1988).
Sheikheldin, S. Y., Cardwell, T. J., Cattrall, R. W., Luque de Castro, M. D., & Kolev, S. D.: Determination of Henry’s law constants of phenols by pervaporation-flow injection analysis, Environ. Sci. Technol., 35, 178–181, doi:10.1021/ES001406E (2001).
Shiu, W.-Y., Ma, K.-C., Varhaníčková, D., & Mackay, D.: Chlorophenols and alkylphenols: A review and correlation of environmentally relevant properties and fate in an evaluative environment, Chemosphere, 29, 1155–1224, doi:10.1016/0045-6535(94)90252-6 (1994).
Tabai, S., Rogalski, M., Solimando, R., & Malanowski, S. K.: Activity coefficients of chlorophenols in water at infinite dilution, J. Chem. Eng. Data, 42, 1147–1150, doi:10.1021/JE960336H (1997).
Zhang, X., Brown, T. N., Wania, F., Heimstad, E. S., & Goss, K.-U.: Assessment of chemical screening outcomes based on different partitioning property estimation methods, Environ. Int., 36, 514–520, doi:10.1016/J.ENVINT.2010.03.010 (2010).

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.
89)	Measured at high temperature and extrapolated to T^⊖ = 298.15 K.
107)	Data taken from the supplement.
108)	Calculated using the EPI Suite (v4.0) method.
109)	Calculated using the SPARC (v4.2) method.
110)	Calculated using the COSMOtherm (v2.1) method.
111)	Calculated using the ABSOLV (ADMEBoxes v4.1) method.
116)	Value given here as quoted by Staudinger and Roberts (1996).
167)	Value at T = 281 K.
181)	Value given here as quoted by Hilal et al. (2008).

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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