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
|
FORMULA: | C7H7COOH |
TRIVIAL NAME:
|
m-toluic acid
|
CAS RN: | 99-04-7 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | GPSDUZXPYCFOSQ-UHFFFAOYSA-N |
|
|
References |
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)
|
Data
The first column contains Henry's law solubility constant
at the reference temperature of 298.15 K.
The second column contains the temperature dependence
, also at the
reference temperature.
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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