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: | C7H6N2O5 |
|
TRIVIAL NAME:
|
6-methyl-2,4-dinitrophenol; 4,6-dinitro-o-cresol; DNOC
|
|
CAS RN: | 534-52-1 |
STRUCTURE
(FROM
NIST):
|
|
|
InChIKey: | ZXVONLUNISGICL-UHFFFAOYSA-N |
| Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
| [mol/(m3Pa)] |
[K] |
|
|
|
| 4.3×101 |
|
Tremp et al. 1993 |
M |
9)
|
| 7.0 |
|
Warner et al. 1980 |
M |
|
| 9.2×101 |
|
Mackay et al. 2006d |
V |
|
| 2.3×101 |
|
Schwarzenbach et al. 1988 |
V |
9)
|
| 9.1×101 |
|
Suntio et al. 1988 |
V |
9)
|
| 7.0 |
|
Shen 1982 |
C |
|
| 3.2×102 |
|
Zhang et al. 2010 |
Q |
107)
108)
|
| 2.3×103 |
|
Zhang et al. 2010 |
Q |
107)
109)
|
| 1.9×101 |
|
Zhang et al. 2010 |
Q |
107)
110)
|
| 7.2×102 |
|
Zhang et al. 2010 |
Q |
107)
111)
|
|
5400 |
Kühne et al. 2005 |
Q |
|
|
4200 |
Kühne et al. 2005 |
? |
|
References
-
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.
-
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.
-
Schwarzenbach, R. P., Stierli, R., Folsom, B. R., and Zeyer, J.: Compound properties relevant for assessing the environmental partitioning of nitrophenols, Environ. Sci. Technol., 22, 83-92, doi:10.1021/ES00166A009, 1988.
-
Shen, T. T.: Estimation of organic compound emissions from waste lagoons, J. Air Pollut. Control Assoc., 32, 79-82, doi:10.1080/00022470.1982.10465374, 1982.
-
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.
-
Tremp, J., Mattrel, P., Fingler, S., and Giger, W.: Phenols and nitrophenols as tropospheric pollutants: Emissions from automobile exhausts and phase transfer in the atmosphere, Water Air Soil Pollut., 68, 113-123, doi:10.1007/BF00479396, 1993.
-
Warner, H. P., Cohen, J. M., and Ireland, J. C.: Determination of Henry's law constants of selected priority pollutants, Tech. rep., U.S. EPA, Municipal Environmental Research Laboratory, Wastewater Research Division, Cincinnati, Ohio, 45268, USA, 1980.
-
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. |
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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