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 Please do not cite the old paper anymore.
|
| FORMULA: | C12H4Cl4O |
|
TRIVIAL NAME:
|
PCDF-2378
|
|
CAS RN: | 51207-31-9 |
STRUCTURE
(FROM
NIST):
|
|
|
InChIKey: | KSMVNVHUTQZITP-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
| [mol/(m3Pa)] |
[K] |
|
|
|
| 5.9×10−1 |
|
Friesen et al. (1993) |
M |
|
| 6.8×10−1 |
|
Mackay et al. (2006b) |
V |
|
| 8.5×10−1 |
|
Govers and Krop (1998) |
V |
|
| 2.2×10−3 |
3700 |
Paasivirta et al. (1999) |
T |
|
| 2.4×10−1 |
|
Keshavarz et al. (2022) |
Q |
|
| 1.2 |
|
Duchowicz et al. (2020) |
Q |
|
| 6.4×10−1 |
|
HSDB (2015) |
Q |
100)
|
| 7.2×10−1 |
|
Saçan et al. (2005) |
Q |
|
| 3.7×10−1 |
|
Govers and Krop (1998) |
Q |
|
| 5.9×10−1 |
|
Duchowicz et al. (2020) |
? |
21)
186)
|
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
-
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).
-
Friesen, K. J., Loewen, M. D., Fairchild, W. L., Lawrence, S. G., Holoka, M. H., & Muir, D. C. G.: Evidence for particle-mediated transport of 2,3,7,8-tetrachlorodibenzofuran during gas sparging of natural water, Environ. Toxicol. Chem., 12, 2037–2044, doi:10.1002/ETC.5620121110 (1993).
-
Govers, H. A. J. & Krop, H. B.: Partition constants of chlorinated dibenzofurans and dibenzo-p-dioxins, Chemosphere, 37, 2139–2152, doi:10.1016/S0045-6535(98)00276-8 (1998).
-
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., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. II of Halogenated Hydrocarbons, CRC/Taylor & Francis Group, doi:10.1201/9781420044393 (2006b).
-
Paasivirta, J., Sinkkonen, S., Mikkelson, P., Rantio, T., & Wania, F.: Estimation of vapor pressures, solubilities and Henry’s law constants of selected persistent organic pollutants as functions of temperature, Chemosphere, 39, 811–832, doi:10.1016/S0045-6535(99)00016-8 (1999).
-
Saçan, M. T., Özkul, M., & Erdem, S. S.: Physico-chemical properties of PCDD/PCDFs and phthalate esters, SAR QSAR Environ. Res., 16, 443–459, doi:10.1080/10659360500320602 (2005).
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. |
| 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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