Henry's Law Constants

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

Errata

Contact, Imprint, Acknowledgements

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.

Henry's Law Constants → Organic species with fluorine (F) → Organic fluorine → 1,1,2,2-tetrahydroperfluoro dodecanol

FORMULA:	C₁₂H₅F₂₁O
TRIVIAL NAME:	10:2 FTOH
CAS RN:	865-86-1
STRUCTURE (FROM NIST):
InChIKey:	FLXYIZWPNQYPIT-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	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

H_{s}^{cp}

at the reference temperature of 298.15 K.
The second column contains the temperature dependence

d ln H_{s}^{cp} / d
(1/ T)

, 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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