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 Please do not cite the old paper anymore.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: | C3H5Cl3 |
CAS RN: | 7789-89-1 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | AVGQTJUPLKNPQP-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
3.1×10−3 |
|
Duchowicz et al. (2020) |
V |
187)
|
3.8×10−3 |
|
Yaws et al. (2005) |
X |
448)
|
1.2×10−3 |
|
Duchowicz et al. (2020) |
Q |
|
1.1×10−3 |
|
Hilal et al. (2008) |
Q |
|
3.1×10−3 |
|
Yaffe et al. (2003) |
Q |
249)
250)
|
6.5×10−4 |
|
Katritzky et al. (1998) |
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
-
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).
-
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).
-
Katritzky, A. R., Wang, Y., Sild, S., Tamm, T., & Karelson, M.: QSPR studies on vapor pressure, aqueous solubility, and the prediction of water-air partition coefficients, J. Chem. Inf. Comput. Sci., 38, 720–725, doi:10.1021/CI980022T (1998).
-
Yaffe, D., Cohen, Y., Espinosa, G., Arenas, A., & Giralt, F.: A fuzzy ARTMAP-based quantitative structure-property relationship (QSPR) for the Henry’s law constant of organic compounds, J. Chem. Inf. Comput. Sci., 43, 85–112, doi:10.1021/CI025561J (2003).
-
Yaws, C. L., Narasimhan, P. K., Lou, H. H., & Pike, R. W.: Solubility & Henry’s law constants for chlorinated compounds in water, Chem. Eng., 112, 50–56 (2005).
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. |
249) |
Yaffe et al. (2003) present QSPR results calculated with the fuzzy ARTMAP (FAM) and with the back-propagation (BK-Pr) method. They conclude that FAM is better. Only the FAM results are shown here. |
250) |
Value from the training set. |
448) |
Value given here as quoted by Hilal et al. (2008). |
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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