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Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany


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Henry's Law Constants

Notes

References

Errata

Contact, Impressum, 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


Henry's Law ConstantsOrganic species with oxygen (O)Alcohols (ROH) → hydroxybenzene

FORMULA:C6H5OH
TRIVIAL NAME: phenol
CAS RN:108-95-2
STRUCTURE
(FROM NIST):
InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.8×101 2700 Guo and Brimblecombe 2007 M
6.4 7700 Feigenbrugel et al. 2004b M
3.0×101 5900 Harrison et al. 2002 M
1.9×101 Sheikheldin et al. 2001 M 9)
> 4.2 Altschuh et al. 1999 M
8.1×101 7400 Tabai et al. 1997 M 89)
4.2 Heal et al. 1995 M 147)
1.6×101 6000 Dohnal and Fenclová 1995 M
1.5×101 Tremp et al. 1993 M 9)
1.7×101 6100 Abd-El-Bary et al. 1986 M
7.6 Warner et al. 1980 M
2.0×101 Mackay et al. 2006c V
2.5×101 Lide and Frederikse 1995 V
1.9×101 Mackay et al. 1995 V
1.9×101 Shiu et al. 1994 V
3.4 Hwang et al. 1992 V
1.1×101 Riederer 1990 V
9.0×101 Leuenberger et al. 1985 V 167)
4.8 Hine and Weimar 1965 R
2.8×101 6800 Parsons et al. 1971 T 168)
1.9 3600 Janini and Quaddora 1986 X 116)
1.9×101 7300 Goldstein 1982 X 116)
2.5×101 Howard 1989 X 169)
3.0×101 Gaffney and Senum 1984 X 153)
3.7×101 McCarty 1980 X 145)
2.5×101 Schüürmann 2000 C 7)
7.6 Shiu et al. 1994 C
7.6 Smith et al. 1993 C
2.1×101 Ryan et al. 1988 C
7.6 Shen 1982 C
4.4 Hilal et al. 2008 Q
6200 Kühne et al. 2005 Q
9.9 Nirmalakhandan and Speece 1988a Q
5400 Kühne et al. 2005 ?
1.6×101 Abraham et al. 1990 ?

References

  • Abd-El-Bary, M. F., Hamoda, M. F., Tanisho, S., and Wakao, N.: Henry's constants for phenol over its diluted aqueous solution, J. Chem. Eng. Data, 31, 229-230, doi:10.1021/JE00044A027, 1986.
  • Abraham, M. H., Whiting, G. S., Fuchs, R., and Chambers, E. J.: Thermodynamics of solute transfer from water to hexadecane, J. Chem. Soc. Perkin Trans. 2, pp. 291-300, doi:10.1039/P29900000291, 1990.
  • Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., and Piringer, O. G.: Henry's law constants for a diverse set of organic chemicals: Experimental determination and comparison of estimation methods, Chemosphere, 39, 1871-1887, doi:10.1016/S0045-6535(99)00082-X, 1999.
  • Dohnal, V. and Fenclová, D.: Air-water partitioning and aqueous solubility of phenols, J. Chem. Eng. Data, 40, 478-483, doi:10.1021/JE00018A027, 1995.
  • Feigenbrugel, V., Le Calvé, S., Mirabel, P., and Louis, F.: Henry's law constant measurements for phenol, o-, m-, and p-cresol as a function of temperature, Atmos. Environ., 38, 5577-5588, doi:10.1016/J.ATMOSENV.2004.06.025, 2004b.
  • Gaffney, J. S. and Senum, G. I.: Peroxides, peracids, aldehydes, and PANs and their links to natural and anthropogenic organic sources, in: Gas-Liquid Chemistry of Natural Waters, edited by Newman, L., pp. 5-1-5-7, NTIS TIC-4500, UC-11, BNL 51757 Brookhaven National Laboratory, 1984.
  • 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.
  • Guo, X. X. and Brimblecombe, P.: Henry's law constants of phenol and mononitrophenols in water and aqueous sulfuric acid, Chemosphere, 68, 436-444, doi:10.1016/J.CHEMOSPHERE.2007.01.011, 2007.
  • Harrison, M. A. J., Cape, J. N., and Heal, M. R.: Experimentally determined Henry's Law coefficients of phenol, 2-methylphenol and 2-nitrophenol in the temperature range 281-302 K, Atmos. Environ., 36, 1843-1851, doi:10.1016/S1352-2310(02)00137-1, 2002.
  • Heal, M. R., Pilling, M. J., Titcombe, P. E., and Whitaker, B. J.: Mass accommodation of aniline, phenol and toluene on aqueous droplets, Geophys. Res. Lett., 22, 3043-3046, doi:10.1029/95GL02944, 1995.
  • Hilal, S. H., Ayyampalayam, S. N., and 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. and Weimar, Jr., R. D.: Carbon basicity, J. Am. Chem. Soc., 87, 3387-3396, doi:10.1021/JA01093A018, 1965.
  • Howard, P. H.: Handbook of Environmental fate and exposure data for organic chemicals. Vol. I: Large production and priority pollutants, Lewis Publishers Inc. Chelsea, Michigan, 1989.
  • Hwang, Y.-L., Olson, J. D., and 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.
  • Janini, G. M. and Quaddora, L. A.: Determination of activity coefficients of oxygenated hydrocarbons by liquid-liquid chromatography, J. Liq. Chromatogr., 9, 39-53, doi:10.1080/01483918608076621, 1986.
  • Kühne, R., Ebert, R.-U., and 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.
  • Leuenberger, C., Ligocki, M. P., and Pankow, J. F.: Trace organic compounds in rain: 4. Identities, concentrations, and scavenging mechanisms for phenols in urban air and rain, Environ. Sci. Technol., 19, 1053-1058, doi:10.1021/ES00141A005, 1985.
  • Lide, D. R. and Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL, 1995.
  • Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Oxygen, Nitrogen, and Sulfur Containing Compounds , Lewis Publishers, Boca Raton, 1995.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds , CRC/Taylor & Francis Group, 2006c.
  • McCarty, P. L.: Organics in water — an engineering challenge, J. Environ. Eng. Div., 106, 1-17, 1980.
  • Nirmalakhandan, N. N. and Speece, R. E.: QSAR model for predicting Henry's constant, Environ. Sci. Technol., 22, 1349-1357, doi:10.1021/ES00176A016, 1988a.
  • Parsons, G. H., Rochester, C. H., and Wood, C. E. C.: Effect of 4-substitution on the thermodynamics of hydration of phenol and the phenoxide anion, J. Chem. Soc. B, pp. 533-536, doi:10.1039/J29710000533, 1971.
  • Riederer, M.: Estimating partitioning and transport of organic chemicals in the foliage/atmosphere system: discussion of a fugacity-based model, Environ. Sci. Technol., 24, 829-837, doi:10.1021/ES00076A006, 1990.
  • Ryan, J. A., Bell, R. M., Davidson, J. M., and 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.
  • Schüürmann, G.: Prediction of Henry's law constant of benzene derivatives using quantum chemical continuum-solvation models, J. Comput. Chem., 21, 17-34, doi:10.1002/(SICI)1096-987X(20000115)21:1<17::AID-JCC3>3.0.CO;2-5, 2000.
  • Sheikheldin, S. Y., Cardwell, T. J., Cattrall, R. W., Luque de Castro, M. D., and Kolev, S. D.: Determination of Henry's law constants of phenols by pervaporation-flow injection analysis, Environ. Sci. Technol., 35, 178-181, doi:10.1021/ES001406E, 2001.
  • Shen, T. T.: Estimation of organic compound emissions from waste lagoons, J. Air Pollut. Control Assoc., 32, 79-82, doi:10.1080/00022470.1982.10465374, 1982.
  • Shiu, W.-Y., Ma, K.-C., Varhanícková, D., and Mackay, D.: Chlorophenols and alkylphenols: A review and correlation of environmentally relevant properties and fate in an evaluative environment, Chemosphere, 29, 1155-1224, doi:10.1016/0045-6535(94)90252-6, 1994.
  • Smith, J. R., Neuhauser, E. F., Middleton, A. C., Cunningham, J. J., Weightman, R. L., and 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.
  • Tabai, S., Rogalski, M., Solimando, R., and Malanowski, S. K.: Activity coefficients of chlorophenols in water at infinite dilution, J. Chem. Eng. Data, 42, 1147-1150, doi:10.1021/JE960336H, 1997.
  • Tremp, J., Mattrel, P., Fingler, S., and Giger, W.: Phenols and nitrophenols as tropospheric pollutants: Emissions from automobile exhausts and phase transfer in the atmosphere, Water Air Soil Pollut., 68, 113-123, doi:10.1007/BF00479396, 1993.
  • Warner, H. P., Cohen, J. M., and Ireland, J. C.: Determination of Henry's law constants of selected priority pollutants, Tech. rep., U.S. EPA, Municipal Environmental Research Laboratory, Wastewater Research Division, Cincinnati, Ohio, 45268, USA, 1980.

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

7) Several references are given in the list of Henry's law constants but not assigned to specific species.
9) Value at T = 293 K.
89) Measured at high temperature and extrapolated to T = 298.15 K.
116) Value given here as quoted by Staudinger and Roberts (1996).
145) Value given here as quoted by Petrasek et al. (1983).
147) Value at T = 283 K.
153) Value given here as quoted by Gaffney et al. (1987).
167) Value at T = 281 K.
168) It is assumed here that the thermodynamic data refers to the units [mol dm−3] and [atm] as standard states.
169) Value given here as quoted by Shiu et al. (1994).

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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