Henry's Law Constants

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

Errata

Contact, Impressum, 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

Henry's Law Constants → Organic species with oxygen (O) → Carboxylic acids (RCOOH) and peroxy carboxylic acids (RCOOOH) → 3-methylbenzoic acid

FORMULA:	C₇H₇COOH
TRIVIAL NAME:	m-toluic acid
CAS RN:	99-04-7
STRUCTURE (FROM NIST):
InChIKey:	GPSDUZXPYCFOSQ-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	Reference	Type	Notes
[mol/(m³Pa)]	[K]
6.6		Mackay et al. (2006c)	V
1.4×10⁻¹		Mackay et al. (1995)	V
8.2×10¹		Zhang et al. (2010)	Q	107) 108)
1.2×10²		Zhang et al. (2010)	Q	107) 109)
5.1×10²		Zhang et al. (2010)	Q	107) 110)
1.1×10²		Zhang et al. (2010)	Q	107) 111)

References

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).
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

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.

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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