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 → Hydrocarbons (C, H) → Polynuclear aromatics → benz[a]anthracene

FORMULA:	C₁₈H₁₂
CAS RN:	56-55-3
STRUCTURE (FROM NIST):
InChIKey:	DXBHBZVCASKNBY-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
1.4		Ma et al. (2010)	L	143)
1.6		Ma et al. (2010)	L	144)
9.0×10⁻¹	7900	Fogg and Sangster (2003)	L
1.7		Lee et al. (2012)	M
8.2×10⁻¹	8300	Bamford et al. (1999a)	M
9.9		Zhang and Pawliszyn (1993)	M
1.2		Southworth (1979)	M
1.7		Mackay et al. (2006a)	V
2.4		Eastcott et al. (1988)	V
4.0		Southworth (1979)	V
1.5×10⁻¹	6100	Paasivirta et al. (1999)	T
8.5		Smith et al. (1993)	C	27)
9.8		Ryan et al. (1988)	C
8.2×10¹		Petrasek et al. (1983)	C
4.4		Hilal et al. (2008)	Q
	6100	Kühne et al. (2005)	Q
5.6		Ferreira (2001)	Q	9)
	8300	Kühne et al. (2005)	?
		Shiu and Ma (2000)	W	140)

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

Bamford, H. A., Poster, D. L., & Baker, J. E.: Temperature dependence of Henry’s law constants of thirteen polycyclic aromatic hydrocarbons between 4 ∘C and 31 ∘C, Environ. Toxicol. Chem., 18, 1905–1912, doi:10.1002/etc.5620180906 (1999a).
Eastcott, L., Shiu, W. Y., & Mackay, D.: Environmentally relevant physical-chemical properties of hydrocarbons: A review of data and development of simple correlations, Oil Chem. Pollut., 4, 191–216, doi:10.1016/S0269-8579(88)80020-0 (1988).
Ferreira, M. M. C.: Polycyclic aromatic hydrocarbons: a QSPR study, Chemosphere, 44, 125–146, doi:10.1016/S0045-6535(00)00275-7 (2001).
Fogg, P. & Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc. (2003).
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).
Lee, H., Kim, H.-J., & Kwon, J.-H.: Determination of Henry’s law constant using diffusion in air and water boundary layers, J. Chem. Eng. Data, 57, 3296–3302, doi:10.1021/JE300954S (2012).
Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Introduction and Hydrocarbons, CRC/Taylor & Francis Group (2006a).
Ma, Y.-G., Lei, Y. D., Xiao, H., Wania, F., & Wang, W.-H.: Critical review and recommended values for the physical-chemical property data of 15 polycyclic aromatic hydrocarbons at 25 ∘C, J. Chem. Eng. Data, 55, 819–825, doi:10.1021/JE900477X (2010).
Paasivirta, J., Sinkkonen, S., Mikkelson, P., Rantio, T., & Wania, F.: Estimation of vapor pressures, solubilities and Henry’s law constants of selected persistent organic pollutants as functions of temperature, Chemosphere, 39, 811–832, doi:10.1016/S0045-6535(99)00016-8 (1999).
Petrasek, A. C., Kugelman, I. J., Austern, B. M., Pressley, T. A., Winslow, L. A., & Wise, R. H.: Fate of toxic organic compounds in wastewater treatment plants, J. Water Pollut. Control Fed., 55, 1286–1296 (1983).
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).
Shiu, W. Y. & Ma, K.-C.: Temperature dependence of physical-chemical properties of selected chemicals of environmental interest. I. mononuclear and polynuclear aromatic hydrocarbons, J. Phys. Chem. Ref. Data, 29, 41–130, doi:10.1063/1.556055 (2000).
Smith, J. R., Neuhauser, E. F., Middleton, A. C., Cunningham, J. J., Weightman, R. L., & Linz, D. G.: Treatment of organically contaminated groundwaters in municipal activated sludge systems, Water Environ. Res., 65, 804–818, doi:10.2175/WER.65.7.2 (1993).
Southworth, G. R.: The role of volatilization in removing polycyclic aromatic hydrocarbons from aquatic environments, Bull. Environ. Contam. Toxicol., 21, 507–514, doi:10.1007/BF01685462 (1979).
Zhang, Z. & Pawliszyn, J.: Headspace solid-phase microextraction, Anal. Chem., 65, 1843–1852, doi:10.1021/AC00062A008 (1993).

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.
27)	Value at T = 297 K.
140)	Because of discrepancies between the values shown in Tables 4 and 5 of Shiu and Ma (2000), the data are not used here.
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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