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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

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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

A new version is currently under peer review:

R. Sander: Compilation of Henry's law constants (version 5.0.0-rc.0) for water as solvent, doi:10.5194/egusphere-2023-1584

The database on this web page will be updated to version 5.0.0 when the peer review of the manuscript is completed.

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

Hscp d ln Hs cp / d (1/T) References 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) ?

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

  • Arp, H. P. H. & 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., & 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. & 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. & 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., & 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., & 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., & 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., & 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., & 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., & 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. & 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., & 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., & 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., & 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., & 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., & Ying, W.: Experimental method for estimating Henry’s law constant of volatile organic compound, Asian J. Chem., 25, 2647–2650, doi:10.14233/ajchem.2013.13584 (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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