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
A new version is currently under peer review:
R. Sander: Compilation of Henry's law constants (version 5.0.0-rc.0)
for water as solvent,
doi:10.5194/egusphere-2023-1584
The database on this web page will be updated to
version 5.0.0 when the peer review of the manuscript is completed.
|
FORMULA: | C12H9Cl |
TRIVIAL NAME:
|
PCB-1
|
CAS RN: | 2051-60-7 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | LAXBNTIAOJWAOP-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
3.0×10−2 |
|
Lau et al. (2006) |
M |
262)
|
2.3×10−2 |
|
Lau et al. (2006) |
M |
263)
|
3.0×10−2 |
5300 |
Charles and Destaillats (2005) |
M |
|
4.9×10−2 |
5100 |
Bamford et al. (2000) |
M |
|
1.7×10−2 |
5300 |
Paasivirta and Sinkkonen (2009) |
V |
|
1.4×10−2 |
|
Mackay et al. (2006b) |
V |
|
1.4×10−2 |
|
Mackay et al. (1992a) |
V |
|
2.7×10−3 |
|
Hwang et al. (1992) |
V |
|
1.4×10−2 |
|
Shiu and Mackay (1986) |
V |
|
3.5×10−2 |
|
Burkhard et al. (1985) |
V |
|
2.3×10−2 |
|
Hilal et al. (2008) |
Q |
|
1.7×10−2 |
|
Fang Lee (2007) |
Q |
264)
|
2.2×10−2 |
|
Fang Lee (2007) |
Q |
265)
|
|
4600 |
Kühne et al. (2005) |
Q |
|
3.3×10−2 |
|
Dunnivant et al. (1992) |
Q |
|
|
5400 |
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
-
Bamford, H. A., Poster, D. L., & Baker, J. E.: Henry’s law constants of polychlorinated biphenyl congeners and their variation with temperature, J. Chem. Eng. Data, 45, 1069–1074, doi:10.1021/JE0000266 (2000).
-
Burkhard, L. P., Armstrong, D. E., & Andren, A. W.: Henry’s law constants for the polychlorinated biphenyls, Environ. Sci. Technol., 19, 590–596, doi:10.1021/ES00137A002 (1985).
-
Charles, M. J. & Destaillats, H.: Experimental determinations of Henry’s law constants of polybrominated diphenyl ethers (PBDEs) to evaluate exposure to aquatic biota, technical Completion Report, University of California Water Resources Center, UC Berkeley, http://escholarship.org/uc/item/9zv0s4np (2005).
-
Dunnivant, F. M., Elzerman, A. W., Jurs, P. C., & Hasan, M. N.: Quantitative structure-property relationships for aqueous solubilities and Henry’s law constants of polychlorinated biphenyls, Environ. Sci. Technol., 26, 1567–1573, doi:10.1021/ES00032A012 (1992).
-
Fang Lee, F.: Comprehensive analysis, Henry’s law constant determination, and photocatalytic degradation of polychlorinated biphenyls (PCBs) and/or other persistent organic pollutants (POPs), Ph.D. thesis, University at Albany, State University of New York, USA (2007).
-
Hilal, S. H., Ayyampalayam, S. N., & 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).
-
Hwang, Y.-L., Olson, J. D., & Keller, II, G. E.: Steam stripping for removal of organic pollutants from water. 2. Vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 31, 1759–1768, doi:10.1021/IE00007A022 (1992).
-
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).
-
Lau, F. K., Charles, M. J., & Cahill, T. M.: Evaluation of gas-stripping methods for the determination of Henry’s law constants for polybrominated diphenyl ethers and polychlorinated biphenyls, J. Chem. Eng. Data, 51, 871–878, doi:10.1021/JE050308B (2006).
-
Mackay, D., Shiu, W. Y., & Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Monoaromatic Hydrocarbons, Chlorobenzenes, and PCBs, Lewis Publishers, Boca Raton (1992a).
-
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 (2006b).
-
Paasivirta, J. & Sinkkonen, S. I.: Environmentally relevant properties of all 209 polychlorinated biphenyl congeners for modeling their fate in different natural and climatic conditions, J. Chem. Eng. Data, 54, 1189–1213, doi:10.1021/JE800501H (2009).
-
Shiu, W. Y. & Mackay, D.: A critical review of aqueous solubilities, vapor pressures, Henry’s law constants, and octanol-water partition coefficients of the polychlorinated biphenyls, J. Phys. Chem. Ref. Data, 15, 911–929, doi:10.1063/1.555755 (1986).
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
262) |
Modified gas-stripping method (MGSM), see Lau et al. (2006) for details. |
263) |
Integrated gas-stripping method (IGSM), see Lau et al. (2006) for details. |
264) |
Calculated with the principal component regression (PCR) method, see Fang Lee (2007) for details. |
265) |
Calculated with the partial least-square regression (PLSR) method, see Fang Lee (2007) for details. |
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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