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 Please do not cite the old paper anymore.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: | CH3CHOHCOOH |
TRIVIAL NAME:
|
lactic acid
|
CAS RN: | 50-21-5 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | JVTAAEKCZFNVCJ-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
1.2×102 |
|
Duchowicz et al. (2020) |
V |
187)
|
1.2×102 |
|
HSDB (2015) |
V |
|
1.1×103 |
|
Duchowicz et al. (2020) |
Q |
|
9.9×102 |
|
Raventos-Duran et al. (2010) |
Q |
243)
244)
|
9.9×103 |
|
Raventos-Duran et al. (2010) |
Q |
245)
|
9.9×101 |
|
Raventos-Duran et al. (2010) |
Q |
246)
|
6.9×105 |
|
Saxena and Hildemann (1996) |
E |
403)
|
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
-
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).
-
Raventos-Duran, T., Camredon, M., Valorso, R., Mouchel-Vallon, C., & Aumont, B.: Structure-activity relationships to estimate the effective Henry’s law constants of organics of atmospheric interest, Atmos. Chem. Phys., 10, 7643–7654, doi:10.5194/ACP-10-7643-2010 (2010).
-
Saxena, P. & Hildemann, L. M.: Water-soluble organics in atmospheric particles: A critical review of the literature and application of thermodynamics to identify candidate compounds, J. Atmos. Chem., 24, 57–109, doi:10.1007/BF00053823 (1996).
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. |
243) |
Value from the training dataset. |
244) |
Calculated using the GROMHE model. |
245) |
Calculated using the SPARC approach. |
246) |
Calculated using the HENRYWIN method. |
403) |
Value obtained by Saxena and Hildemann (1996) using the group contribution method. |
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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