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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 ConstantsHydrocarbons (C, H)Mononuclear aromatics → 1,2-dimethylbenzene

FORMULA:C6H4(CH3)2
TRIVIAL NAME: o-xylene
CAS RN:95-47-6
STRUCTURE
(FROM NIST):
InChIKey:CTQNGGLPUBDAKN-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.4×10−3 4200 Fogg and Sangster 2003 L
2.0×10−3 4300 Staudinger and Roberts 2001 L
1.9×10−3 4000 Staudinger and Roberts 1996 L
2.0×10−3 Mackay and Shiu 1981 L
1.9×10−3 Kim and Kim 2014 M
3.2×10−3 4500 Hiatt 2013 M
2.2×10−3 Zhang et al. 2013 M
2.0×10−3 4300 Sieg et al. 2009 M 121)
2.3×10−3 Li et al. 2008 M
1.7×10−3 2500 Falabella and Teja 2008 M 89) 130)
2.1×10−3 Dohnal and Hovorka 1999 M
1.9×10−3 3400 Kondoh and Nakajima 1997 M
1.4×10−3 Turner et al. 1996 M
2.4×10−3 4500 Dewulf et al. 1995 M
1.9×10−3 3400 Robbins et al. 1993 M
1.9×10−3 Li and Carr 1993 M
2.1×10−3 Li et al. 1993 M
2.7×10−3 Zhang and Pawliszyn 1993 M
1.4×10−3 3000 Kolb et al. 1992 M 102)
1.7×10−3 Anderson 1992 M 126)
2.1×10−3 5600 Bissonette et al. 1990 M
1.9×10−3 3200 Ashworth et al. 1988 M 103)
2.3×10−3 Yurteri et al. 1987 M 9)
1.9×10−3 4500 Sanemasa et al. 1982 M
1.0×10−3 Sato and Nakajima 1979a M 19)
2.9×10−3 5400 Wasik and Tsang 1970 M
1.8×10−3 Mackay et al. 2006a V
1.8×10−3 Shiu and Ma 2000 V
1.8×10−3 Mackay et al. 1992a V
2.3×10−3 Eastcott et al. 1988 V
1.8×10−3 Hine and Mookerjee 1975 V
1.9×10−3 Mackay and Leinonen 1975 V
1.9×10−3 Sieg et al. 2008 C
2.0×10−3 Hilal et al. 2008 Q
4100 Kühne et al. 2005 Q
1.1×10−3 Nirmalakhandan and Speece 1988a Q
4100 Kühne et al. 2005 ?
2.3×10−3 Yaws and Yang 1992 ? 92)
1.9×10−3 Abraham et al. 1990 ?

References

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  • Anderson, M. A.: Influence of surfactants on vapor-liquid partitioning, Environ. Sci. Technol., 26, 2186-2191, doi:10.1021/ES00035A017, 1992.
  • 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.
  • 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.
  • Falabella, J. B. and Teja, A. S.: Air-water partitioning of gasoline components in the presence of sodium chloride, Energy Fuels, 22, 398-401, doi:10.1021/EF700513K, 2008.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • 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., 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.
  • 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.
  • Kolb, B., Welter, C., and Bichler, C.: Determination of partition coefficients by automatic equilibrium headspace gas chromatography by vapor phase calibration, Chromatographia, 34, 235-240, doi:10.1007/BF02268351, 1992.
  • 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 Leinonen, P. J.: Rate of evaporation of low-solubility contaminants from water bodies to atmosphere, Environ. Sci. Technol., 9, 1178-1180, doi:10.1021/ES60111A012, 1975.
  • 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.
  • Robbins, G. A., Wang, S., and Stuart, J. D.: Using the headspace method to determine Henry's law constants, Anal. Chem., 65, 3113-3118, doi:10.1021/AC00069A026, 1993.
  • 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.
  • 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.
  • Sieg, K., Starokozheva, E., Schmidt, M. U., and Püttmann, W.: Inverse temperature dependence of Henry's law coefficients for volatile organic compounds in supercooled water, Chemosphere, 77, 8-14, doi:10.1016/J.CHEMOSPHERE.2009.06.028, 2009.
  • 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.
  • Turner, L. H., Chiew, Y. C., Ahlert, R. C., and Kosson, D. S.: Measuring vapor-liquid equilibrium for aqueous-organic systems: Review and a new technique, AIChE J., 42, 1772-1788, doi:10.1002/AIC.690420629, 1996.
  • 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.
  • Yurteri, C., Ryan, D. F., Callow, J. J., and 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. and Pawliszyn, J.: Headspace solid-phase microextraction, Anal. Chem., 65, 1843-1852, doi:10.1021/AC00062A008, 1993.
  • Zhang, W., Huang, L., Yang, C., and Ying, W.: Experimental method for estimating Henry's law constant of volatile organic compound, Asian J. Chem., 25, 2647-2650, 2013.

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.
19) Value at T = 310 K.
89) Measured at high temperature and extrapolated to T = 298.15 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
102) Extrapolated from data measured between 40 °C and 80 °C.
103) The value is most probably taken from the report by Howe et al. (1987).
121) Sieg et al. (2009) also provide data for supercooled water. Here, only data above 0 °C were used to calculate the temperature dependence.
126) Value at T = 296 K.
130) Values for salt solutions are also available from this reference.

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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