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: | C6H6Cl6 |
TRIVIAL NAME:
|
α-lindane; α-HCH
|
CAS RN: | 319-84-6 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | JLYXXMFPNIAWKQ-SHFUYGGZSA-N |
Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
1.5 |
|
Xiao et al. 2004 |
L |
143)
|
1.4 |
|
Xiao et al. 2004 |
L |
144)
|
3.0 |
5500 |
Cetin et al. 2006 |
M |
|
1.7 |
7500 |
Sahsuvar et al. 2003 |
M |
|
8.1×10−1 |
|
Altschuh et al. 1999 |
M |
|
1.3 |
6500 |
Kucklick et al. 1991 |
M |
|
4.2×10−1 |
|
Atlas et al. 1982 |
M |
253)
|
1.1 |
|
Mackay et al. 2006d |
V |
|
9.1×10−1 |
|
Ballschmiter and Wittlinger 1991 |
V |
|
2.3 |
|
Calamari et al. 1991 |
V |
9)
|
1.1 |
|
Suntio et al. 1988 |
V |
9)
|
5.9×10−3 |
3900 |
Paasivirta et al. 1999 |
T |
|
1.8 |
|
Suntio et al. 1988 |
C |
254)
|
3.9×10−2 |
|
Zhang et al. 2010 |
Q |
107)
108)
|
7.7 |
|
Zhang et al. 2010 |
Q |
107)
109)
|
4.0×101 |
|
Zhang et al. 2010 |
Q |
107)
110)
|
3.8×10−1 |
|
Zhang et al. 2010 |
Q |
107)
111)
|
|
7100 |
Kühne et al. 2005 |
Q |
|
|
7100 |
Kühne et al. 2005 |
? |
|
References
-
Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., and Piringer, O. G.: Henry's law constants for a diverse set of organic chemicals: Experimental determination and comparison of estimation methods, Chemosphere, 39, 1871-1887, doi:10.1016/S0045-6535(99)00082-X, 1999.
-
Atlas, E., Foster, R., and Giam, C. S.: Air-sea exchange of high-molecular weight organic pollutants: laboratory studies, Environ. Sci. Technol., 16, 283-286, doi:10.1021/ES00099A010, 1982.
-
Ballschmiter, K. and Wittlinger, R.: Interhemisphere exchange of hexachlorocyclohexanes, hexachlorobenzene, polychlorobiphenyls, and 1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane in the lower troposphere, Environ. Sci. Technol., 25, 1103-1111, doi:10.1021/ES00018A014, 1991.
-
Calamari, D., Bacci, E., Focardi, S., Gaggi, C., Morosini, M., and Vighi, M.: Role of plant biomass in the global environmental partitioning of chlorinated hydrocarbons, Environ. Sci. Technol., 25, 1489-1495, doi:10.1021/ES00020A020, 1991.
-
Cetin, B., Ozer, S., Sofuoglu, A., and Odabasi, M.: Determination of Henry's law constants of organochlorine pesticides in deionized and saline water as a function of temperature, Atmos. Environ., 40, 4538-4546, doi:10.1016/J.ATMOSENV.2006.04.009, 2006.
-
Kühne, R., Ebert, R.-U., and 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.
-
Kucklick, J. R., Hinckley, D. A., and Bidleman, T. F.: Determination of Henry's law constants for hexachlorocyclohexanes in distilled water and artificial seawater as a function of temperature, Mar. Chem., 34, 197-209, doi:10.1016/0304-4203(91)90003-F, 1991.
-
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.
-
Paasivirta, J., Sinkkonen, S., Mikkelson, P., Rantio, T., and 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.
-
Sahsuvar, L., Helm, P. A., Jantunen, L. M., and Bidleman, T. F.: Henry's law constants for α-, β-, and γ-hexachlorocyclohexanes (HCHs) as a function of temperature and revised estimates of gas exchange in Arctic regions, Atmos. Environ., 37, 983-992, doi:10.1016/S1352-2310(02)00936-6, 2003.
-
Suntio, L. R., Shiu, W. Y., Mackay, D., Seiber, J. N., and Glotfelty, D.: Critical review of Henry's law constants for pesticides, Rev. Environ. Contam. Toxicol., 103, 1-59, doi:10.1007/978-1-4612-3850-8_1, 1988.
-
Xiao, H., Li, N., and Wania, F.: Compilation, evaluation, and selection of physical-chemical property data for α-, β-, and γ-hexachlorocyclohexane, J. Chem. Eng. Data, 49, 173-185, doi:10.1021/JE034214I, 2004.
-
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
9) |
Value at T = 293 K. |
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. |
143) |
Literature-derived value. |
144) |
Final adjusted value. |
253) |
As explained by Miller and Stuart (2003), the measurements were performed at 296 K. |
254) |
Value for T = 295... 298 K. |
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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