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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 → Organic species with oxygen (O) → Ethers (ROR) → methyl tert-butyl ether

FORMULA:CH3OC(CH3)3
TRIVIAL NAME: MTBE
CAS RN:1634-04-4
STRUCTURE
(FROM NIST):
InChIKey:BZLVMXJERCGZMT-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.7×10−2 9100 Hiatt 2013 M
3.2×10−2 Zhang et al. 2013 M
1.1×10−2 4800 Sieg et al. 2009 M 121)
1.1×10−2 4400 Falabella and Teja 2008 M 89) 130)
1.2×10−2 5000 Arp and Schmidt 2004 M 209)
1.4×10−2 4500 Fischer et al. 2004 M
7.2×10−3 3200 Bierwagen and Keller 2001 M
1.7×10−2 Miller and Stuart 2000 M 126)
2.3×10−2 Park et al. 1997 M
1.6×10−2 7700 Robbins et al. 1993 M
1.4×10−2 Mackay et al. 2006c V
1.6×10−2 Park et al. 1997 V
1.4×10−2 Mackay et al. 1993 V
2.0×10−2 Hwang et al. 1992 V
1.7×10−2 Guthrie 1973 V
1.7×10−2 Bagno et al. 1991 T 196)
3.9×10−3 Hilal et al. 2008 Q
6300 Kühne et al. 2005 Q
8.6×10−4 Nirmalakhandan et al. 1997 Q
6000 Kühne et al. 2005 ?

References

  • Arp, H. P. H. and Schmidt, T. C.: Air-water transfer of MTBE, its degradation products, and alternative fuel oxygenates: the role of temperature, Environ. Sci. Technol., 38, 5405-5412, doi:10.1021/ES049286O, 2004.
  • Bagno, A., Lucchini, V., and Scorrano, G.: Thermodynamics of protonation of ketones and esters and energies of hydration of their conjugate acids, J. Phys. Chem., 95, 345-352, doi:10.1021/J100154A063, 1991.
  • Bierwagen, B. G. and Keller, A. A.: Measurement of Henry's law constant for methyl tert-butyl ether using solid-phase microextraction, Environ. Toxicol. Chem., 20, 1625-1629, doi:10.1002/ETC.5620200802, 2001.
  • 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.
  • Fischer, A., Müller, M., and Klasmeier, J.: Determination of Henry's law constant for methyl tert-butyl ether (MTBE) at groundwater temperatures, Chemosphere, 54, 689-694, doi:10.1016/J.CHEMOSPHERE.2003.08.025, 2004.
  • Guthrie, J. P.: Hydration of carboxylic acids and esters. Evaluation of the free energy change for addition of water to acetic and formic acids and their methyl esters, J. Am. Chem. Soc., 95, 6999-7003, doi:10.1021/JA00802A021, 1973.
  • 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.
  • 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.
  • Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Volatile Organic Chemicals , Lewis Publishers, Boca Raton, 1993.
  • 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.
  • Miller, M. E. and Stuart, J. D.: Measurement of aqueous Henry's law constants for oxygenates and aromatics found in gasolines by the static headspace method, Anal. Chem., 72, 622-625, doi:10.1021/AC990757C, 2000.
  • Nirmalakhandan, N., Brennan, R. A., and Speece, R. E.: Predicting Henry's law constant and the effect of temperature on Henry's law constant, Wat. Res., 31, 1471-1481, doi:10.1016/S0043-1354(96)00395-8, 1997.
  • 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.
  • 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.
  • 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.
  • 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

89) Measured at high temperature and extrapolated to T⊖ = 298.15 K.
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.
196) Calculated under the assumption that ∆G and ∆H are based on [mol/l] and [atm] as the standard states.
209) Different types of Henry's law constants of Arp and Schmidt (2004) are inconsistent, with 5 % difference.

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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