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 Please do not cite the old paper anymore.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: | C19H20O4 |
|
CAS RN: | 85-68-7 |
STRUCTURE
(FROM
NIST):
|
|
|
InChIKey: | IRIAEXORFWYRCZ-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
| [mol/(m3Pa)] |
[K] |
|
|
|
| 1.0×102 |
|
Lee et al. (2012) |
M |
|
| 7.8 |
|
Duchowicz et al. (2020) |
V |
187)
|
| 7.6 |
|
HSDB (2015) |
V |
|
| 7.5 |
|
Mackay et al. (2006c) |
V |
|
| 1.9×101 |
|
Saçan et al. (2005) |
V |
|
| 4.9 |
|
Cousins and Mackay (2000) |
V |
|
| 1.3×101 |
|
Staples et al. (1997) |
V |
|
| 7.8 |
|
Mackay et al. (1995) |
V |
|
| 9.6 |
|
Ryan et al. (1988) |
C |
|
| 2.9×102 |
|
Duchowicz et al. (2020) |
Q |
|
| 3.2×101 |
|
Saçan et al. (2005) |
Q |
|
| > 9.9 |
|
Petrasek et al. (1983) |
E |
|
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
-
Cousins, I. & Mackay, D.: Correlating the physical-chemical properties of phthalate esters using the ‘three solubility’ approach, Chemosphere, 41, 1389–1399, doi:10.1016/S0045-6535(00)00005-9 (2000).
-
Duchowicz, P. R., Aranda, J. F., Bacelo, D. E., & Fioressi, S. E.: QSPR study of the Henry’s law constant for heterogeneous compounds, Chem. Eng. Res. Des., 154, 115–121, doi:10.1016/J.CHERD.2019.12.009 (2020).
-
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).
-
Lee, H., Kim, H.-J., & Kwon, J.-H.: Determination of Henry’s law constant using diffusion in air and water boundary layers, J. Chem. Eng. Data, 57, 3296–3302, doi:10.1021/JE300954S (2012).
-
Mackay, D., Shiu, W. Y., & 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, ISBN 1566700353 (1995).
-
Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds, CRC/Taylor & Francis Group, doi:10.1201/9781420044393 (2006c).
-
Petrasek, A. C., Kugelman, I. J., Austern, B. M., Pressley, T. A., Winslow, L. A., & Wise, R. H.: Fate of toxic organic compounds in wastewater treatment plants, J. Water Pollut. Control Fed., 55, 1286–1296 (1983).
-
Ryan, J. A., Bell, R. M., Davidson, J. M., & 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).
-
Saçan, M. T., Özkul, M., & Erdem, S. S.: Physico-chemical properties of PCDD/PCDFs and phthalate esters, SAR QSAR Environ. Res., 16, 443–459, doi:10.1080/10659360500320602 (2005).
-
Staples, C. A., Peterson, D. R., Parkerton, T. F., & Adams, W. J.: The environmental fate of phthalate esters: A literature review, Chemosphere, 35, 667–749, doi:10.1016/S0045-6535(97)00195-1 (1997).
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
| 187) |
Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN. |
The numbers of the notes are the same as
in Sander (2023). References cited in the notes can be
found here.
|
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