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 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 Please do not cite the old paper anymore.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 nitrogen (N) → Heterocycles with nitrogen (C, H, N) → carbazole

FORMULA:	C₁₂H₉N
CAS RN:	86-74-8
STRUCTURE (FROM NIST):
InChIKey:	UJOBWOGCFQCDNV-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
9.4×10¹	4300	Brockbank (2013)	L
9.3×10¹	4300	Odabasi et al. (2006)	M
6.6×10⁻²		Mackay et al. (2006d)	V
6.6×10⁻²		Mackay et al. (1995)	V
6.3×10⁻²		Smith and Bomberger (1980)	V	24)
2.0×10¹		Keshavarz et al. (2022)	Q
6.3×10¹		Duchowicz et al. (2020)	Q
1.1×10²		HSDB (2015)	Q	100)
8.5×10¹		Duchowicz et al. (2020)	?	21) 186)

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

Brockbank, S. A.: Aqueous Henry’s law constants, infinite dilution activity coefficients, and water solubility: critically evaluated database, experimental analysis, and prediction methods, Ph.D. thesis, Brigham Young University, USA, URL https://scholarsarchive.byu.edu/etd/3691/ (2013).
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).
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).
Keshavarz, M. H., Rezaei, M., & Hosseini, S. H.: A simple approach for prediction of Henry’s law constant of pesticides, solvents, aromatic hydrocarbons, and persistent pollutants without using complex computer codes and descriptors, Process Saf. Environ. Prot., 162, 867–877, doi:10.1016/J.PSEP.2022.04.045 (2022).
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, ISBN 1566700353 (1995).
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).
Odabasi, M., Cetin, B., & Sofuoglu, A.: Henry’s law constant, octanol-air partition coefficient and supercooled liquid vapor pressure of carbazole as a function of temperature: Application to gas/particle partitioning in the atmosphere, Chemosphere, 62, 1087–1096, doi:10.1016/J.CHEMOSPHERE.2005.05.035 (2006).
Smith, J. H. & Bomberger, D. C.: Prediction of volatilization rate of chemicals in water, in: Hydrocarbons and Halogenated Hydrocarbons in the Aquatic Environment, edited by Afghan, B. K., Mackay, D., Braun, H. E., Chau, A. S. Y., Lawrence, J., Lean, D. R. S., Meresz, O., Miles, J. R. W., Pierce, R. C., Rees, G. A. V., White, R. E., Whittle, D. M., & Williams, D. T., pp. 445–451, Plenum Press New York (1980).

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

21)	Several references are given in the list of Henry's law constants but not assigned to specific species.
24)	Value at "room temperature".
100)	Calculated based on the method by Meylan and Howard (1991).
186)	Experimental value, extracted from HENRYWIN.

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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