MPG

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 ConstantsHydrocarbons (C, H)Mononuclear aromatics → 1,3-dimethylbenzene

FORMULA:C6H4(CH3)2
TRIVIAL NAME: m-xylene
CAS RN:108-38-3
STRUCTURE
(FROM NIST):
InChIKey:IVSZLXZYQVIEFR-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.4×10−3 4200 Staudinger and Roberts 2001 L
1.3×10−3 4200 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
1.3×10−3 Karl et al. 2003 M 31)
1.5×10−3 Dohnal and Hovorka 1999 M
1.5×10−3 2900 Kondoh and Nakajima 1997 M
1.6×10−3 4300 Dewulf et al. 1995 M
1.3×10−3 Li and Carr 1993 M
1.5×10−3 Li et al. 1993 M
1.4×10−3 6000 Bissonette et al. 1990 M
1.3×10−3 3300 Ashworth et al. 1988 M 103)
1.4×10−3 4700 Sanemasa et al. 1982 M
6.4×10−4 Sato and Nakajima 1979a M 19)
1.8×10−3 4500 Tsibul'skii et al. 1979 M
1.4×10−3 Mackay et al. 2006a V
1.4×10−3 Shiu and Ma 2000 V
1.4×10−3 Mackay et al. 1992a V
1.4×10−3 Eastcott et al. 1988 V
1.6×10−3 Hine and Mookerjee 1975 V
1.7×10−3 5000 Andon et al. 1954 V 129)
1.7×10−3 Bohon and Claussen 1951 V
1.7×10−3 4300 Shaw 1989 X 3)
1.4×10−3 Sieg et al. 2008 C
1.5×10−3 Hilal et al. 2008 Q
4700 Kühne et al. 2005 Q
1.1×10−3 Nirmalakhandan and Speece 1988a Q
4900 Kühne et al. 2005 ?
1.5×10−3 Yaws and Yang 1992 ? 92)
1.3×10−3 Abraham et al. 1990 ?

References

  • 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.
  • 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.
  • 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.
  • 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.
  • Karl, T., Yeretzian, C., Jordan, A., and Lindinger, W.: Dynamic measurements of partition coefficients using proton-transfer-reaction mass spectrometry (PTR-MS), Int. J. Mass Spectrom., 223-224, 383-395, doi:10.1016/S1387-3806(02)00927-2, 2003.
  • 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.
  • 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.
  • Shaw, D. G., ed.: IUPAC Solubility Data Series, vol. 37/38 of Hydrocarbons with Water and Seawater , Pergamon Press, Oxford, England, 1989.
  • 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.
  • Tsibul'skii, V. V., Tsibul'skaya, I. A., and Yaglitskaya, N. N.: Sampling and storage of samples for the gas-chromatographic Determination of aromatic-hydrocarbons as microimpurities in gases, J. Anal. Chem. USSR, 34, 1052-1055, 1979.
  • 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.

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

3) Value given here as quoted by Fogg and Sangster (2003).
19) Value at T = 310 K.
31) Value at T = 295 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).
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.

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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