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: | C9H5Cl3N4 |
CAS RN: | 101-05-3 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | IMHBYKMAHXWHRP-UHFFFAOYSA-N |
Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
3.5×104 |
|
HSDB 2015 |
V |
|
3.5×104 |
|
Mackay et al. 2006d |
V |
|
2.9×101 |
|
Zhang et al. 2010 |
Q |
107)
108)
|
1.2×103 |
|
Zhang et al. 2010 |
Q |
107)
109)
|
9.5 |
|
Zhang et al. 2010 |
Q |
107)
110)
|
5.4×103 |
|
Zhang et al. 2010 |
Q |
107)
111)
|
3.5×104 |
|
MacBean 2012a |
? |
|
References
-
HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
-
MacBean, C.: The Pesticide Manual, 16th Edition, Supplementary Entries - Extended, Tech. rep., British Crop Production Council, http://www.bcpcdata.com/_assets/files/PM16-supplementary-BCPC.pdf, 2012a.
-
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.
-
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. |
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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