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 Please do not cite the old paper anymore.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: | C12Cl8O2 |
|
TRIVIAL NAME:
|
PCDD-12346789
|
|
CAS RN: | 3268-87-9 |
STRUCTURE
(FROM
NIST):
|
|
|
InChIKey: | FOIBFBMSLDGNHL-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
| [mol/(m3Pa)] |
[K] |
|
|
|
| 1.5 |
|
Duchowicz et al. (2020) |
V |
187)
|
| 1.5 |
|
HSDB (2015) |
V |
|
| 1.5 |
|
Mackay et al. (2006b) |
V |
|
| 7.6×10−1 |
|
Govers and Krop (1998) |
V |
|
| 1.5 |
|
Shiu et al. (1988) |
V |
|
| 1.1×10−5 |
2300 |
Paasivirta et al. (1999) |
T |
|
| 3.8×10−1 |
|
Duchowicz et al. (2020) |
Q |
|
|
9600 |
Kühne et al. (2005) |
Q |
|
| 1.7 |
|
Saçan et al. (2005) |
Q |
|
| 5.2 |
|
Wang and Wong (2002) |
Q |
537)
|
| 1.9 |
|
Govers and Krop (1998) |
Q |
|
|
9500 |
Kühne et al. (2005) |
? |
|
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).
-
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).
-
Kühne, R., Ebert, R.-U., & Schüürmann, G.: Prediction of the temperature dependency of Henry’s law constant from chemical structure, Environ. Sci. Technol., 39, 6705–6711, doi:10.1021/ES050527H (2005).
-
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).
-
Shiu, W. Y., Doucette, W., Gobas, F. A. P. C., Andren, A., & Mackay, D.: Physical-chemical properties of chlorinated dibenzo-p-dioxins, Environ. Sci. Technol., 22, 651–658, doi:10.1021/ES00171A006 (1988).
-
Wang, Y. H. & Wong, P. K.: Mathematical relationships between vapor pressure, water solubility, Henry’s law constant, n-octanol/water partition coefficent and gas chromatographic retention index of polychlorinated-dibenzo-dioxins, Wat. Res., 36, 350–355, doi:10.1016/S0043-1354(01)00192-0 (2002).
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
| 187) |
Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN. |
| 537) |
Based on gas chromatograph retention indices (GC-RIs). |
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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