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: | C8Cl4N2 |
TRIVIAL NAME:
|
chlorothalonil
|
CAS RN: | 1897-45-6 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | CRQQGFGUEAVUIL-UHFFFAOYSA-N |
Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
5.0×101 |
|
Kawamoto and Urano 1989 |
M |
|
1.7×10−2 |
|
Mackay et al. 2006d |
V |
|
3.9×101 |
|
MacBean 2012b |
X |
137)
|
4.5×101 |
|
Armbrust 2000 |
C |
|
6.5×101 |
|
Zhang et al. 2010 |
Q |
107)
108)
|
1.5 |
|
Zhang et al. 2010 |
Q |
107)
109)
|
6.9×101 |
|
Zhang et al. 2010 |
Q |
107)
110)
|
2.7×101 |
|
Zhang et al. 2010 |
Q |
107)
111)
|
5.8 |
|
Hilal et al. 2008 |
Q |
|
6.5×101 |
|
Meylan and Howard 1991 |
Q |
|
References
-
Armbrust, K. L.: Pesticide hydroxyl radical rate constants: Measurements and estimates of their importance in aquatic environments, Environ. Toxicol. Chem., 19, 2175-2180, doi:10.1897/1551-5028(2000)019<2175:PHRRCM>2.3.CO;2, 2000.
-
Hilal, S. H., Ayyampalayam, S. N., and 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.
-
Kawamoto, K. and Urano, K.: Parameters for predicting fate of organochlorine pesticides in the environment (I) Octanol-water and air-water partition coefficients, Chemosphere, 18, 1987-1996, doi:10.1016/0045-6535(89)90482-7, 1989.
-
MacBean, C.: The Pesticide Manual, British Crop Production Council, 2012b.
-
Mackay, D., Shiu, W. Y., Ma, K. C., and 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, 2006d.
-
Meylan, W. M. and Howard, P. H.: Bond contribution method for estimating Henry's law constants, Environ. Toxicol. Chem., 10, 1283-1293, doi:10.1002/ETC.5620101007, 1991.
-
Zhang, X., Brown, T. N., Wania, F., Heimstad, E. S., and 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. |
137) |
Value given here as quoted by HSDB (2015). |
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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