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: | C6H2Cl4 |
CAS RN: | 634-90-2 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | QZYNWJQFTJXIRN-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
6.3×10−3 |
|
Shiu and Mackay (1997) |
M |
|
1.0×10−2 |
|
ten Hulscher et al. (1992) |
M |
9)
|
6.3×10−3 |
|
Mackay and Shiu (1981) |
M |
|
1.7×10−3 |
|
Mackay et al. (2006b) |
V |
|
2.1×10−3 |
|
Fogg and Sangster (2003) |
V |
|
1.8×10−3 |
|
Fogg and Sangster (2003) |
V |
|
1.7×10−3 |
|
Shiu and Mackay (1997) |
V |
|
1.7×10−3 |
|
Mackay et al. (1992a) |
V |
|
1.7×10−3 |
|
Bobra et al. (1985) |
V |
|
1.7×10−3 |
|
Mackay and Shiu (1981) |
V |
|
6.3×10−3 |
|
Meylan and Howard (1991) |
C |
|
7.7×10−3 |
|
Hilal et al. (2008) |
Q |
|
7.1×10−3 |
|
Delgado and Alderete (2002) |
Q |
|
3.2×10−2 |
|
Nirmalakhandan et al. (1997) |
Q |
|
5.7×10−3 |
|
Myrdal and Yalkowsky (1994) |
Q |
|
6.1×10−3 |
|
Meylan and Howard (1991) |
Q |
|
2.4×10−2 |
|
Nirmalakhandan and Speece (1988a) |
Q |
|
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
-
Bobra, A., Shiu, W. Y., & Mackay, D.: Quantitative structure-activity relationships for the acute toxicity of chlorobenzenes to daphnia magna, Environ. Toxicol. Chem., 4, 297–305, doi:10.1002/ETC.5620040305 (1985).
-
Delgado, E. J. & Alderete, J.: On the calculation of Henry’s law constants of chlorinated benzenes in water from semiempirical quantum chemical methods, J. Chem. Inf. Comput. Sci., 42, 559–563, doi:10.1021/CI0101206 (2002).
-
Fogg, P. & Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc. (2003).
-
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).
-
Mackay, D. & Shiu, W. Y.: A critical review of Henry’s law constants for chemicals of environmental interest, J. Phys. Chem. Ref. Data, 10, 1175–1199, doi:10.1063/1.555654 (1981).
-
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).
-
Meylan, W. M. & Howard, P. H.: Bond contribution method for estimating Henry’s law constants, Environ. Toxicol. Chem., 10, 1283–1293, doi:10.1002/ETC.5620101007 (1991).
-
Myrdal, P. & Yalkowsky, S. H.: A simple scheme for calculating aqueous solubility, vapor pressure and Henry’s law constant: application to the chlorobenzenes, SAR QSAR Environ. Res., 2, 17–28, doi:10.1080/10629369408028837 (1994).
-
Nirmalakhandan, N. N. & Speece, R. E.: QSAR model for predicting Henry’s constant, Environ. Sci. Technol., 22, 1349–1357, doi:10.1021/ES00176A016 (1988a).
-
Nirmalakhandan, N., Brennan, R. A., & Speece, R. E.: Predicting Henry’s law constant and the effect of temperature on Henry’s law constant, Wat. Res., 31, 1471–1481, doi:10.1016/S0043-1354(96)00395-8 (1997).
-
Shiu, W.-Y. & Mackay, D.: Henry’s law constants of selected aromatic hydrocarbons, alcohols, and ketones, J. Chem. Eng. Data, 42, 27–30, doi:10.1021/JE960218U (1997).
-
ten Hulscher, T. E. M., van der Velde, L. E., & Bruggeman, W. A.: Temperature dependence of Henry’s law constants for selected chlorobenzenes, polychlorinated biphenyls and polycyclic aromatic hydrocarbons, Environ. Toxicol. Chem., 11, 1595–1603, doi:10.1002/etc.5620111109 (1992).
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
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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