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: | C7H6N2O4 |
|
TRIVIAL NAME:
|
2,4-dinitrotoluene; 2,4-DNT
|
|
CAS RN: | 121-14-2 |
STRUCTURE
(FROM
NIST):
|
|
|
InChIKey: | RMBFBMJGBANMMK-UHFFFAOYSA-N |
| Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
| [mol/(m3Pa)] |
[K] |
|
|
|
| 1.8×102 |
|
Altschuh et al. 1999 |
M |
|
| 1.1×101 |
|
Mackay et al. 2006d |
V |
|
| 1.0×102 |
|
Schüürmann 2000 |
V |
|
| 1.1×101 |
|
Mackay et al. 1995 |
V |
|
| 6.3×101 |
|
Smith et al. 1981a |
V |
|
| 2.1×10−1 |
2900 |
Goldstein 1982 |
X |
116)
|
| 2.2 |
|
Mackay et al. 1995 |
C |
|
| 3.1×10−2 |
|
Ryan et al. 1988 |
C |
|
| 1.1×102 |
|
Zhang et al. 2010 |
Q |
107)
108)
|
| 1.6×101 |
|
Zhang et al. 2010 |
Q |
107)
109)
|
| 5.0 |
|
Zhang et al. 2010 |
Q |
107)
110)
|
| 1.5×101 |
|
Zhang et al. 2010 |
Q |
107)
111)
|
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.
-
Goldstein, D. J.: Air and steam stripping of toxic pollutants, Appendix 3: Henry's law constants, Tech. Rep. EPA-68-03-002, Industrial Environmental Research Laboratory, Cincinnati, OH, USA, 1982.
-
Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Oxygen, Nitrogen, and Sulfur Containing Compounds , Lewis Publishers, Boca Raton, 1995.
-
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.
-
Ryan, J. A., Bell, R. M., Davidson, J. M., and O'Connor, G. A.: Plant uptake of non-ionic organic chemicals from soils, Chemosphere, 17, 2299-2323, doi:10.1016/0045-6535(88)90142-7, 1988.
-
Schüürmann, G.: Prediction of Henry's law constant of benzene derivatives using quantum chemical continuum-solvation models, J. Comput. Chem., 21, 17-34, doi:10.1002/(SICI)1096-987X(20000115)21:1<17::AID-JCC3>3.0.CO;2-5, 2000.
-
Smith, J. H., Bomberger, D. C., and Haynes, D. L.: Volatilization rates of intermediate and low volatility chemicals from water, Chemosphere, 10, 281-289, doi:10.1016/0045-6535(81)90028-X, 1981a.
-
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
| 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. |
| 116) |
Value given here as quoted by Staudinger and Roberts (1996). |
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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