When referring to the compilation of Henry's Law Constants, please cite
this publication:
R. Sander: Compilation of Henry's law constants (version 4.0) for
water as solvent, Atmos. Chem. Phys., 15, 4399-4981 (2015),
doi:10.5194/acp-15-4399-2015
A new version is currently under peer review:
R. Sander: Compilation of Henry's law constants (version 5.0.0-rc.0)
for water as solvent,
doi:10.5194/egusphere-2023-1584
The database on this web page will be updated to
version 5.0.0 when the peer review of the manuscript is completed.
|
FORMULA: | C12H5F21O |
TRIVIAL NAME:
|
10:2 FTOH
|
CAS RN: | 865-86-1 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | FLXYIZWPNQYPIT-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
1.3×10−4 |
2700 |
Wu and Chang (2011) |
M |
89)
|
2.5×10−1 |
|
Wu and Chang (2011) |
V |
|
8.6×10−8 |
|
Zhang et al. (2010) |
Q |
107)
108)
|
2.7×10−6 |
|
Zhang et al. (2010) |
Q |
107)
109)
|
1.5×10−4 |
|
Zhang et al. (2010) |
Q |
107)
110)
|
1.6×10−8 |
|
Zhang et al. (2010) |
Q |
107)
111)
|
4.6×10−5 |
|
Arp et al. (2006) |
Q |
240)
|
5.2×10−5 |
|
Arp et al. (2006) |
Q |
241)
|
1.0×10−4 |
9600 |
Goss et al. (2006) |
Q |
|
1.0×10−5 |
|
Arp et al. (2006) |
E |
244)
|
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
-
Arp, H. P. H., Niederer, C., & Goss, K. U.: Predicting the partitioning behavior of various highly fluorinated compounds, Environ. Sci. Technol., 40, 7298–7304, doi:10.1021/ES060744Y (2006).
-
Goss, K. U., Bronner, G., Harner, T., Hertel, M., & Schmidt, T.: The partition behavior of fluorotelomer alcohols and olefins, Environ. Sci. Technol., 40, 3572–3577, doi:10.1021/ES060004P (2006).
-
Wu, Y. & Chang, V. W.-C.: The effect of surface adsorption and molecular geometry on the determination of Henry’s law constants for fluorotelomer alcohols, J. Chem. Eng. Data, 56, 3442–3448, doi:10.1021/JE200466W (2011).
-
Zhang, X., Brown, T. N., Wania, F., Heimstad, E. S., & Goss, K.-U.: Assessment of chemical screening outcomes based on different partitioning property estimation methods, Environ. Int., 36, 514–520, doi:10.1016/J.ENVINT.2010.03.010 (2010).
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 (2015) for further details.
Notes
89) |
Measured at high temperature and extrapolated to T⊖ = 298.15 K. |
107) |
Data taken from the supplement. |
108) |
Calculated using the EPI Suite (v4.0) method. |
109) |
Calculated using the SPARC (v4.2) method. |
110) |
Calculated using the COSMOtherm (v2.1) method. |
111) |
Calculated using the ABSOLV (ADMEBoxes v4.1) method. |
240) |
Calculated using the new SPARC method, see Arp et al. (2006) for details. |
241) |
Calculated using the COSMOtherm method, see Arp et al. (2006) for details. |
244) |
Extrapolated based on number of carbons. |
The numbers of the notes are the same as
in Sander (2015). References cited in the notes can be
found here.
|
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