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Henry's Law Constants

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Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

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Henry's Law Constants

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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 Constants → Hydrocarbons (C, H) → Polynuclear aromatics → naphthalene

FORMULA:C10H8
CAS RN:91-20-3
STRUCTURE
(FROM NIST):
InChIKey:UFWIBTONFRDIAS-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
2.1×10−2 Ma et al. (2010) L 143)
2.2×10−2 Ma et al. (2010) L 144)
2.2×10−2 5300 Fogg and Sangster (2003) L
2.3×10−2 Mackay and Shiu (1981) L
3.3×10−2 6100 Hiatt (2013) M
6.0×10−2 Lee et al. (2012) M
4.0×10−2 Bobadilla et al. (2003) M
2.4×10−2 Destaillats and Charles (2002) M
1.3×10−2 3600 Dewulf et al. (1999) M
1.8×10−2 Altschuh et al. (1999) M
2.2×10−2 De Maagd et al. (1998) M 9)
2.2×10−2 Shiu and Mackay (1997) M
1.7×10−2 5100 Kondoh and Nakajima (1997) M
2.3×10−2 5700 Alaee et al. (1996) M
2.1×10−2 Zhang and Pawliszyn (1993) M
1.3×10−2 Fendinger and Glotfelty (1990) M
2.7×10−2 Yurteri et al. (1987) M 9)
2.6×10−2 Webster et al. (1985) M
2.0×10−2 Mackay et al. (1979) M
1.8×10−2 Southworth (1979) M
2.2×10−2 5400 Schwarz and Wasik (1977) M
2.3×10−2 Mackay et al. (2006a) V
2.3×10−2 Shiu and Ma (2000) V
3.2×10−2 De Maagd et al. (1998) V 9)
2.3×10−2 Shiu and Mackay (1997) V
2.0×10−2 Lide and Frederikse (1995) V
2.3×10−2 Abraham et al. (1994a) V
9.0×10−3 Hwang et al. (1992) V
7.2×10−3 Eastcott et al. (1988) V
2.3×10−2 Cabani et al. (1981) V
2.4×10−2 Hine and Mookerjee (1975) V
8.4×10−3 Mackay and Leinonen (1975) V
1.9×10−2 Bohon and Claussen (1951) V
1.1×10−2 2100 Paasivirta et al. (1999) T
2.1×10−2 Mackay et al. (1979) T
2.1×10−2 3600 Goldstein (1982) X 116)
2.7×10−2 McCarty (1980) X 145)
2.0×10−2 Smith et al. (1993) C
2.0×10−2 Ryan et al. (1988) C
2.1×10−2 Hilal et al. (2008) Q
5200 Kühne et al. (2005) Q
3.2×10−2 Nirmalakhandan and Speece (1988a) Q
3.4×10−2 Arbuckle (1983) Q
3.6×10−2 MacBean (2012a) ?
5400 Kühne et al. (2005) ?
8.0×10−3 Yaws and Yang (1992) ? 92)
2.3×10−2 Abraham et al. (1990) ?

Data

The first column contains Henry's law solubility constant Hscp at the reference temperature of 298.15 K.
The second column contains the temperature dependence d ln Hs cp / d (1/T), also at the reference temperature.

References

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  • Abraham, M. H., Andonian-Haftvan, J., Whiting, G. S., Leo, A., & Taft, R. S.: Hydrogen bonding. Part 34. The factors that influence the solubility of gases and vapours in water at 298 K, and a new method for its determination, J. Chem. Soc. Perkin Trans. 2, pp. 1777–1791, doi:10.1039/P29940001777 (1994a).
  • 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).
  • Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., & 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).
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  • Bobadilla, R., Huybrechts, T., Dewulf, J., & van Langenhove, H.: Determination of the Henry’s constant of volatile and semi-volatile organic componuds of environmental concern by the bas (batch air stripping) technique: a new mathematical approach, J. Chilean Chem. Soc., 48, doi:10.4067/S0717-97072003000300001 (2003).
  • Bohon, R. J. & Claussen, W. F.: The solubility of aromatic hydrocarbons in water, J. Am. Chem. Soc., 73, 1571–1578, doi:10.1021/JA01148A047 (1951).
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  • Destaillats, H. & Charles, M. J.: Henry’s law constants of carbonyl-pentafluorobenzyl hydroxylamine (PFBHA) derivatives in aqueous solution, J. Chem. Eng. Data, 47, 1481–1487, doi:10.1021/JE025545I (2002).
  • Dewulf, J., van Langenhove, H., & Everaert, P.: Determination of Henry’s law coefficients by combination of the equilibrium partitioning in closed systems and solid-phase microextraction techniques, J. Chromatogr. A, 830, 353–363, doi:10.1016/S0021-9673(98)00877-2 (1999).
  • 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).
  • Hiatt, M. H.: Determination of Henry’s law constants using internal standards with benchmark values, J. Chem. Eng. Data, 58, 902–908, doi:10.1021/JE3010535 (2013).
  • 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).
  • Kondoh, H. & Nakajima, T.: Optimization of headspace cryofocus gas chromatography/mass spectrometry for the analysis of 54 volatile organic compounds, and the measurement of their Henry’s constants, J. Environ. Chem., 7, 81–89, doi:10.5985/JEC.7.81 (1997).
  • 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).
  • Lide, D. R. & Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL (1995).
  • MacBean, C.: The Pesticide Manual, 16th Edition, Supplementary Entries - Extended, Tech. rep., British Crop Production Council (2012a).
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  • 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., & Sutherland, R. P.: Determination of air-water Henry’s law constants for hydrophobic pollutants, Environ. Sci. Technol., 13, 333–337, doi:10.1021/ES60151A012 (1979).
  • 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).
  • 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).
  • Schwarz, F. P. & Wasik, S. P.: A fluorescence method for the measurement of the partition coefficients of naphthalene, 1-methylnaphthalene, and 1-ethylnaphthalene in water, J. Chem. Eng. Data, 22, 270–273, doi:10.1021/JE60074A009 (1977).
  • 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. 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).
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  • 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).
  • Yaws, C. L. & Yang, H.-C.: Henry’s law constant for compound in water, in: Thermodynamic and Physical Property Data, edited by Yaws, C. L., pp. 181–206, Gulf Publishing Company, Houston, TX (1992).
  • Yurteri, C., Ryan, D. F., Callow, J. J., & Gurol, M. D.: The effect of chemical composition of water on Henry’s law constant, J. Water Pollut. Control Fed., 59, 950–956 (1987).
  • 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

9) Value at T = 293 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
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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