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 Please do not cite the old paper anymore.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: | C15H18N2O6 |
CAS RN: | 485-31-4 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | ZRDUSMYWDRPZRM-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
2.2×102 |
|
Ebert et al. (2023) |
? |
317)
|
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
-
Ebert, R.-U., Kühne, R., & Schüürmann, G.: Henry’s law constant – a general-purpose fragment model to predict log Kaw from molecular structure, Environ. Sci. Technol., 57, 160–167, doi:10.1021/ACS.EST.2C05623 (2023).
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
317) |
Ebert et al. (2023) present "curated experimental" Henry's law constants from the literature but do not provide any references. It is only mentioned that the value is from multiple sources and obtained from experimental vapor pressure and water solubility. |
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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