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Henry's Law Constants

Rolf Sander

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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 Constants → Hydrocarbons (C, H) → Mononuclear aromatics → 1,4-dimethylbenzene

FORMULA:C6H4(CH3)2
TRIVIAL NAME: p-xylene
CAS RN:106-42-3
STRUCTURE
(FROM NIST):
InChIKey:URLKBWYHVLBVBO-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.9×10−3 4200 Fogg and Sangster 2003 L
1.3×10−3 4000 Staudinger and Roberts 2001 L
1.3×10−3 3800 Staudinger and Roberts 1996 L
1.4×10−3 Mackay and Shiu 1981 L
1.3×10−3 Kim and Kim 2014 M
1.4×10−3 Li et al. 2008 M
2.0×10−3 Bobadilla et al. 2003 M
1.4×10−3 Ryu and Park 1999 M
1.5×10−3 Dohnal and Hovorka 1999 M
1.5×10−3 2900 Kondoh and Nakajima 1997 M
9.8×10−4 3200 Park et al. 1997 M
1.7×10−3 4800 Dewulf et al. 1995 M
1.2×10−3 3100 Hansen et al. 1993 M 105)
1.3×10−3 Li and Carr 1993 M
1.4×10−3 Li et al. 1993 M
1.7×10−3 Zhang and Pawliszyn 1993 M
1.2×10−3 5300 Bissonette et al. 1990 M
1.3×10−3 3500 Ashworth et al. 1988 M 103)
1.3×10−3 4800 Sanemasa et al. 1982 M
6.1×10−4 Sato and Nakajima 1979a M 19)
2.3×10−3 5400 Wasik and Tsang 1970 M
1.8×10−4 Abraham and Acree 2007 V
1.7×10−3 Mackay et al. 2006a V
1.4×10−3 Shiu and Ma 2000 V
1.5×10−3 Park et al. 1997 V
1.7×10−3 Mackay et al. 1992a V
1.5×10−3 Hwang et al. 1992 V
1.8×10−3 Eastcott et al. 1988 V
1.6×10−3 Hine and Mookerjee 1975 V
1.6×10−3 4900 Andon et al. 1954 V 129)
1.6×10−3 Bohon and Claussen 1951 V
1.4×10−3 Foster et al. 1994 X 137)
1.4×10−3 Sieg et al. 2008 C
1.3×10−3 Schüürmann 2000 C 7)
1.5×10−3 Hilal et al. 2008 Q
4700 Kühne et al. 2005 Q
1.1×10−3 Nirmalakhandan and Speece 1988a Q
4500 Kühne et al. 2005 ?
1.6×10−3 Yaws and Yang 1992 ? 92)
1.4×10−3 Abraham et al. 1990 ?

References

  • Abraham, M. H. and Acree, Jr., W. E.: Prediction of gas to water partition coefficients from 273 to 373 K using predicted enthalpies and heat capacities of hydration, Fluid Phase Equilib., 262, 97-110, doi:10.1016/J.FLUID.2007.08.011, 2007.
  • 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.
  • Andon, R. J. L., Cox, J. D., and Herington, E. F. G.: Phase relationships in the pyridine series. Part V. The thermodynamic properties of dilute solutions of pyridine bases in water at 25 ° and 40 °, J. Chem. Soc., pp. 3188-3196, doi:10.1039/JR9540003188, 1954.
  • Ashworth, R. A., Howe, G. B., Mullins, M. E., and Rogers, T. N.: Air-water partitioning coefficients of organics in dilute aqueous solutions, J. Hazard. Mater., 18, 25-36, doi:10.1016/0304-3894(88)85057-X, 1988.
  • Bissonette, E. M., Westrick, J. J., and Morand, J. M.: Determination of Henry's coefficient for volatile organic compounds in dilute aqueous systems, in: Proceedings of the Annual Conference of the American Water Works Association, Cincinnati, OH, June 17-21, pp. 1913-1922, 1990.
  • Bobadilla, R., Huybrechts, T., Dewulf, J., and 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. and Claussen, W. F.: The solubility of aromatic hydrocarbons in water, J. Am. Chem. Soc., 73, 1571-1578, doi:10.1021/JA01148A047, 1951.
  • Dewulf, J., Drijvers, D., and van Langenhove, H.: Measurement of Henry's law constant as function of temperature and salinity for the low temperature range, Atmos. Environ., 29, 323-331, doi:10.1016/1352-2310(94)00256-K, 1995.
  • Dohnal, V. and Hovorka, S.: Exponential saturator: a novel gas-liquid partitioning technique for measurement of large limiting activity coefficients, Ind. Eng. Chem. Res., 38, 2036-2043, doi:10.1021/IE980743H, 1999.
  • Eastcott, L., Shiu, W. Y., and 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.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • Foster, P., Ferronato, C., and Jacob, V.: Organic-compound transfer between gas-phase and raindrops - 1st experiments in a simulation chamber, Fresenius Environ. Bull., 3, 318-323, 1994.
  • Hansen, K. C., Zhou, Z., Yaws, C. L., and Aminabhavi, T. M.: Determination of Henry's law constants of organics in dilute aqueous solutions, J. Chem. Eng. Data, 38, 546-550, doi:10.1021/JE00012A017, 1993.
  • 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 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., 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.
  • 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.
  • Kim, Y.-H. and Kim, K.-H.: Recent advances in thermal desorption-gas chromatography-mass spectrometery method to eliminate the matrix effect between air and water samples: Application to the accurate determination of Henry's law constant, J. Chromatogr. A, 1342, 78-85, doi:10.1016/J.CHROMA.2014.03.040, 2014.
  • Kondoh, H. and 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.
  • Li, J. and Carr, P. W.: Measurement of water-hexadecane partition coefficients by headspace gas chromatography and calculation of limiting activity coefficients in water, Anal. Chem., 65, 1443-1450, doi:10.1021/AC00058A023, 1993.
  • Li, J., Dallas, A. J., Eikens, D. I., Carr, P. W., Bergmann, D. L., Hait, M. J., and Eckert, C. A.: Measurement of large infinite dilution activity coefficients of nonelectrolytes in water by inert gas stripping and gas chromatography, Anal. Chem., 65, 3212-3218, doi:10.1021/AC00070A008, 1993.
  • Li, J.-Q., Shen, C.-Y., Xu, G.-H., Wang, H.-M., Jiang, H.-H., Han, H.-Y., Chu, Y.-N., and Zheng, P.-C.: Dynamic measurements of Henry's law constant of aromatic compounds using proton transfer reaction mass spectrometry, Acta Phys. Chim. Sin., 24, 705-708, 2008.
  • Mackay, D. and 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., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Monoaromatic Hydrocarbons, Chlorobenzenes, and PCBs , Lewis Publishers, Boca Raton, 1992a.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and 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.
  • 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.
  • Park, S.-J., Han, S.-D., and Ryu, S.-A.: Measurement of air/water partition coefficient (Henry's law constant) by using EPICS method and their relationship with vapor pressure and water solubility, J. Korean Inst. Chem. Eng., 35, 915-920, 1997.
  • Ryu, S.-A. and Park, S.-J.: A rapid determination method of the air/water partition coefficient and its application, Fluid Phase Equilib., 161, 295-304, doi:10.1016/S0378-3812(99)00193-4, 1999.
  • Sanemasa, I., Araki, M., Deguchi, T., and Nagai, H.: Solubility measurements of benzene and the alkylbenzenes in water by making use of solute vapor, Bull. Chem. Soc. Jpn., 55, 1054-1062, doi:10.1246/BCSJ.55.1054, 1982.
  • Sato, A. and Nakajima, T.: Partition coefficients of some aromatic hydrocarbons and ketones in water, blood and oil, Br. J. Ind. Med., 36, 231-234, doi:10.1136/OEM.36.3.231, 1979a.
  • 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.
  • Shiu, W. Y. and 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.
  • Sieg, K., Fries, E., and Püttmann, W.: Analysis of benzene, toluene, ethylbenzene, xylenes and n-aldehydes in melted snow water via solid-phase dynamic extraction combined with gas chromatography/mass spectrometry, J. Chromatogr. A, 1178, 178-186, doi:10.1016/J.CHROMA.2007.11.025, 2008.
  • Staudinger, J. and Roberts, P. V.: A critical review of Henry's law constants for environmental applications, Crit. Rev. Environ. Sci. Technol., 26, 205-297, doi:10.1080/10643389609388492, 1996.
  • Staudinger, J. and Roberts, P. V.: A critical compilation of Henry's law constant temperature dependence relations for organic compounds in dilute aqueous solutions, Chemosphere, 44, 561-576, doi:10.1016/S0045-6535(00)00505-1, 2001.
  • Wasik, S. P. and Tsang, W.: Gas chromatographic determination of partition coefficients of some unsaturated hydrocarbons and their deuterated isomers in aqueous silver nitrate solutions, J. Phys. Chem., 74, 2970-2976, doi:10.1021/J100709A023, 1970.
  • Yaws, C. L. and 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.
  • Zhang, Z. and 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

7) Several references are given in the list of Henry's law constants but not assigned to specific species.
19) Value at T = 310 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
103) The value is most probably taken from the report by Howe et al. (1987).
105) The same data were also published in Hansen et al. (1995).
129) Calculated using Gh and Hh from Table 2 in Andon et al. (1954). Note that the thermodynamic functions in that table are not based on their α in Table 1. Instead, the expression exp(−Gh/(RT)) yields the Henry's law constant Hxp in the unit 1/atm.
137) Value given here as quoted by HSDB (2015).

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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