When referring to the compilation of Henry's Law Constants, please cite
this publication:
R. Sander: Compilation of Henry's law constants (version 5.0.0) for
water as solvent, Atmos. Chem. Phys., 23, 10901-12440 (2023),
doi:10.5194/acp-23-10901-2023
The publication from 2023 replaces that from 2015,
which is now obsolete. Please do not cite the old paper anymore.
|
| FORMULA: | C10H19N5S |
|
CAS RN: | 7287-19-6 |
STRUCTURE
(FROM
NIST):
|
|
|
InChIKey: | AAEVYOVXGOFMJO-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
| [mol/(m3Pa)] |
[K] |
|
|
|
| 8.2×102 |
|
HSDB (2015) |
V |
|
| 2.0×103 |
|
Mackay et al. (2006d) |
V |
|
| 2.0×103 |
|
Suntio et al. (1988) |
V |
12)
|
| 2.0×101 |
|
Barcelo and Hennion (1997) |
X |
569)
|
| 2.9×106 |
|
Delgado and Alderete (2003) |
C |
|
| 7.6×102 |
|
Delgado and Alderete (2003) |
C |
|
| 2.5×102 |
|
Goodarzi et al. (2010) |
Q |
570)
|
| 7.5×102 |
|
Hilal et al. (2008) |
Q |
|
| 2.5×103 |
|
Abraham et al. (2007) |
Q |
|
| 5.1×106 |
|
Delgado and Alderete (2003) |
Q |
|
| 1.4×106 |
|
Delgado and Alderete (2003) |
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
-
Abraham, M. A., Enomoto, K., Clarke, E. D., Rosés, M., Ràfols, C., & Fuguet, E.: Henry’s law constants or air to water partition coefficients for 1,3,5-triazines by an LFER method, J. Environ. Monit., 9, 234–239, doi:10.1039/B617181H (2007).
-
Barcelo, D. & Hennion, M. C.: Trace Determination of Pesticides and Their Degradation Products in Water, Elsevier Science, Amsterdam, ISBN 9780444818423 (1997).
-
Delgado, E. J. & Alderete, J. B.: Prediction of Henry’s law constants of triazine derived herbicides from quantum chemical continuum solvation models, J. Chem. Inf. Comput. Sci., 43, 1226–1230, doi:10.1021/CI0256485 (2003).
-
Goodarzi, M., Ortiz, E. V., Coelho, L. D. S., & Duchowicz, P. R.: Linear and non-linear relationships mapping the Henry’s law parameters of organic pesticides, Atmos. Environ., 44, 3179–3186, doi:10.1016/J.ATMOSENV.2010.05.025 (2010).
-
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).
-
HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL https://www.nlm.nih.gov/toxnet/Accessing_HSDB_Content_from_PubChem.html (2015).
-
Mackay, D., Shiu, W. Y., Ma, K. C., & 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, doi:10.1201/9781420044393 (2006d).
-
Suntio, L. R., Shiu, W. Y., Mackay, D., Seiber, J. N., & 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).
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 (2023) for further details.
Notes
| 12) |
Value at T = 293 K. |
| 569) |
Value given here as quoted by Goodarzi et al. (2010). |
| 570) |
Goodarzi et al. (2010) compared several QSPR methods and found that the Levenberg-Marquardt algorithm with Bayesian regularization produces the best results. Values obtained with other methods can be found in their supplement. |
The numbers of the notes are the same as
in Sander (2023). References cited in the notes can be
found here.
|
* * *
Search Henry's Law Database
* * *
Convert Henry's Law Constants
* * *
|
