MPG

Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

Home

Henry's Law Constants

Notes

References

Download

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 Please do not cite the old paper anymore.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 → Hydrocarbons (C, H) → Polynuclear aromatics → dibenz[a,h]anthracene

FORMULA:C22H14
CAS RN:53-70-3
STRUCTURE
(FROM NIST):
InChIKey:LHRCREOYAASXPZ-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
7.0×101 Duchowicz et al. (2020) V 187)
1.8×102 12000 Abou-Naccoul et al. (2014) V
5.8×103 Mackay et al. (2006a) V
1.3×102 Eastcott et al. (1988) V
1.2 7800 Paasivirta et al. (1999) T
1.4×102 Smith et al. (1993) C
1.4 Duchowicz et al. (2020) Q
1.4×102 HSDB (2015) Q 100)
2.6×101 Parnis et al. (2015) Q 371)
1.2×101 Hilal et al. (2008) Q
8.3×101 Ferreira (2001) Q 12)

Data

The first column contains Henry's law solubility constant Hscp at the reference temperature of 298.15 K.
The second column contains the temperature dependence d ln Hs cp / d (1/T), also at the reference temperature.

References

  • Abou-Naccoul, R., Mokbel, I., Bassil, G., Saab, J., Stephan, K., & Jose, J.: Aqueous solubility (in the range between 298.15 and 338.15 K), vapor pressures (in the range between 10−5 and 80 Pa) and Henry’s law constant of 1,2,3,4-dibenzanthracene and 1,2,5,6-dibenzanthracene, Chemosphere, 95, 41–49, doi:10.1016/J.CHEMOSPHERE.2013.08.010 (2014).
  • Duchowicz, P. R., Aranda, J. F., Bacelo, D. E., & Fioressi, S. E.: QSPR study of the Henry’s law constant for heterogeneous compounds, Chem. Eng. Res. Des., 154, 115–121, doi:10.1016/J.CHERD.2019.12.009 (2020).
  • 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).
  • 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 https://www.nlm.nih.gov/toxnet/Accessing_HSDB_Content_from_PubChem.html (2015).
  • 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, doi:10.1201/9781420044393 (2006a).
  • 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).
  • Parnis, J. M., Mackay, D., & Harner, T.: Temperature dependence of Henry’s law constants and KOA for simple and heteroatom-substituted PAHs by COSMO-RS, Atmos. Environ., 110, 27–35, doi:10.1016/J.ATMOSENV.2015.03.032 (2015).
  • 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).

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.
100) Calculated based on the method by Meylan and Howard (1991).
187) Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN.
371) Calculated using COSMOtherm.

The numbers of the notes are the same as in Sander (2023). References cited in the notes can be found here.

* * *

Search Henry's Law Database

Species Search:
Identifier Search:
Reference Search:

* * *

Convert Henry's Law Constants

Convert:

* * *