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: | C14H10 |
CAS RN: | 120-12-7 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | MWPLVEDNUUSJAV-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
2.0×10−1 |
|
Ma et al. (2010) |
L |
143)
|
2.0×10−1 |
|
Ma et al. (2010) |
L |
144)
|
1.7×10−1 |
5700 |
Fogg and Sangster (2003) |
L |
|
1.7×10−1 |
|
Mackay and Shiu (1981) |
L |
|
1.6×10−1 |
|
Lee et al. (2012) |
M |
|
2.3×10−1 |
5600 |
Reza and Trejo (2004) |
M |
|
1.8×10−1 |
6000 |
Bamford et al. (1999a) |
M |
|
1.5×10−1 |
6500 |
Bamford et al. (1999b) |
M |
|
1.3×10−1 |
|
Shiu and Mackay (1997) |
M |
|
2.0×10−1 |
3500 |
Alaee et al. (1996) |
M |
|
1.1×10−1 |
|
Zhang and Pawliszyn (1993) |
M |
|
5.1×10−1 |
|
Fendinger and Glotfelty (1990) |
M |
|
2.7×10−1 |
|
Webster et al. (1985) |
M |
|
1.4×10−2 |
|
Mackay and Shiu (1981) |
M |
|
1.5×10−1 |
|
Southworth (1979) |
M |
|
2.5×10−1 |
|
Mackay et al. (2006a) |
V |
|
2.5×10−1 |
|
Shiu and Ma (2000) |
V |
|
2.5×10−1 |
|
Shiu and Mackay (1997) |
V |
|
3.0×10−2 |
|
Hwang et al. (1992) |
V |
|
6.1×10−1 |
|
Eastcott et al. (1988) |
V |
|
5.1×10−1 |
|
Cabani et al. (1981) |
V |
|
3.4×10−2 |
|
Southworth (1979) |
V |
|
5.6×10−1 |
|
Hine and Mookerjee (1975) |
V |
|
4.6×10−3 |
3100 |
Paasivirta et al. (1999) |
T |
|
3.5×10−1 |
4000 |
Goldstein (1982) |
X |
116)
|
7.0×10−3 |
|
McCarty (1980) |
X |
145)
|
1.1×10−1 |
|
Smith et al. (1993) |
C |
|
3.7×10−2 |
|
Ryan et al. (1988) |
C |
|
1.0×10−1 |
|
Smith et al. (1981a) |
C |
|
3.3×10−1 |
|
Hilal et al. (2008) |
Q |
|
|
6400 |
Kühne et al. (2005) |
Q |
|
9.0×10−3 |
|
Nirmalakhandan and Speece (1988a) |
Q |
|
|
5100 |
Kühne et al. (2005) |
? |
|
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
-
Alaee, M., Whittal, R. M., & Strachan, W. M. J.: The effect of water temperature and composition on Henry’s law constant for various PAH’s, Chemosphere, 32, 1153–1164, doi:10.1016/0045-6535(96)00031-8 (1996).
-
Bamford, H. A., Poster, D. L., & Baker, J. E.: Temperature dependence of Henry’s law constants of thirteen polycyclic aromatic hydrocarbons between 4 ∘C and 31 ∘C, Environ. Toxicol. Chem., 18, 1905–1912, doi:10.1002/etc.5620180906 (1999a).
-
Bamford, H. A., Poster, D. L., & Baker, J. E.: Method for measuring the temperature dependence of the Henry’s law constant of selected polycyclic aromatic hydrocarbons, Polycyclic Aromat. Compd., 14, 11–22, doi:10.1080/10406639908019107 (1999b).
-
Cabani, S., Gianni, P., Mollica, V., & Lepori, L.: Group contributions to the thermodynamic properties of non-ionic organic solutes in dilute aqueous solution, J. Solution Chem., 10, 563–595, doi:10.1007/BF00646936 (1981).
-
Eastcott, L., Shiu, W. Y., & Mackay, D.: Environmentally relevant physical-chemical properties of hydrocarbons: A review of data and development of simple correlations, Oil Chem. Pollut., 4, 191–216, doi:10.1016/S0269-8579(88)80020-0 (1988).
-
Fendinger, N. J. & Glotfelty, D. E.: Henry’s law constants for selected pesticides, PAHs and PCBs, Environ. Toxicol. Chem., 9, 731–735, doi:10.1002/ETC.5620090606 (1990).
-
Fogg, P. & Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc. (2003).
-
Goldstein, D. J.: Air and steam stripping of toxic pollutants, Appendix 3: Henry’s law constants, Tech. Rep. EPA-68-03-002, Industrial Environmental Research Laboratory, Cincinnati, OH, USA (1982).
-
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).
-
Hine, J. & Mookerjee, P. K.: The intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions, J. Org. Chem., 40, 292–298, doi:10.1021/JO00891A006 (1975).
-
Hwang, Y.-L., Olson, J. D., & Keller, II, G. E.: Steam stripping for removal of organic pollutants from water. 2. Vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 31, 1759–1768, doi:10.1021/IE00007A022 (1992).
-
Kühne, R., Ebert, R.-U., & Schüürmann, G.: Prediction of the temperature dependency of Henry’s law constant from chemical structure, Environ. Sci. Technol., 39, 6705–6711, doi:10.1021/ES050527H (2005).
-
Lee, H., Kim, H.-J., & Kwon, J.-H.: Determination of Henry’s law constant using diffusion in air and water boundary layers, J. Chem. Eng. Data, 57, 3296–3302, doi:10.1021/JE300954S (2012).
-
Mackay, D. & Shiu, W. Y.: A critical review of Henry’s law constants for chemicals of environmental interest, J. Phys. Chem. Ref. Data, 10, 1175–1199, doi:10.1063/1.555654 (1981).
-
Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Introduction and Hydrocarbons, CRC/Taylor & Francis Group (2006a).
-
Ma, Y.-G., Lei, Y. D., Xiao, H., Wania, F., & Wang, W.-H.: Critical review and recommended values for the physical-chemical property data of 15 polycyclic aromatic hydrocarbons at 25 ∘C, J. Chem. Eng. Data, 55, 819–825, doi:10.1021/JE900477X (2010).
-
McCarty, P. L.: Organics in water an engineering challenge, J. Environ. Eng. Div., 106, 1–17 (1980).
-
Nirmalakhandan, N. N. & Speece, R. E.: QSAR model for predicting Henry’s constant, Environ. Sci. Technol., 22, 1349–1357, doi:10.1021/ES00176A016 (1988a).
-
Paasivirta, J., Sinkkonen, S., Mikkelson, P., Rantio, T., & Wania, F.: Estimation of vapor pressures, solubilities and Henry’s law constants of selected persistent organic pollutants as functions of temperature, Chemosphere, 39, 811–832, doi:10.1016/S0045-6535(99)00016-8 (1999).
-
Reza, J. & Trejo, A.: Temperature dependence of the infinite dilution activity coefficient and Henry’s law constant of polycyclic aromatic hydrocarbons in water, Chemosphere, 56, 537–547, doi:10.1016/J.CHEMOSPHERE.2004.04.020 (2004).
-
Ryan, J. A., Bell, R. M., Davidson, J. M., & O’Connor, G. A.: Plant uptake of non-ionic organic chemicals from soils, Chemosphere, 17, 2299–2323, doi:10.1016/0045-6535(88)90142-7 (1988).
-
Shiu, W. Y. & Ma, K.-C.: Temperature dependence of physical-chemical properties of selected chemicals of environmental interest. I. mononuclear and polynuclear aromatic hydrocarbons, J. Phys. Chem. Ref. Data, 29, 41–130, doi:10.1063/1.556055 (2000).
-
Shiu, W.-Y. & Mackay, D.: Henry’s law constants of selected aromatic hydrocarbons, alcohols, and ketones, J. Chem. Eng. Data, 42, 27–30, doi:10.1021/JE960218U (1997).
-
Smith, J. H., Bomberger, D. C., & Haynes, D. L.: Volatilization rates of intermediate and low volatility chemicals from water, Chemosphere, 10, 281–289, doi:10.1016/0045-6535(81)90028-X (1981a).
-
Smith, J. R., Neuhauser, E. F., Middleton, A. C., Cunningham, J. J., Weightman, R. L., & Linz, D. G.: Treatment of organically contaminated groundwaters in municipal activated sludge systems, Water Environ. Res., 65, 804–818, doi:10.2175/WER.65.7.2 (1993).
-
Southworth, G. R.: The role of volatilization in removing polycyclic aromatic hydrocarbons from aquatic environments, Bull. Environ. Contam. Toxicol., 21, 507–514, doi:10.1007/BF01685462 (1979).
-
Webster, G. R. B., Friesen, K. J., Sarna, L. P., & Muir, D. C. G.: Environmental fate modelling of chlorodioxins: Determination of physical constants, Chemosphere, 14, 609–622, doi:10.1016/0045-6535(85)90169-9 (1985).
-
Zhang, Z. & Pawliszyn, J.: Headspace solid-phase microextraction, Anal. Chem., 65, 1843–1852, doi:10.1021/AC00062A008 (1993).
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
116) |
Value given here as quoted by Staudinger and Roberts (1996). |
143) |
Literature-derived value. |
144) |
Final adjusted value. |
145) |
Value given here as quoted by Petrasek et al. (1983). |
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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