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Henry's Law Constants

www.henrys-law.org

Rolf Sander

NEW: Version 5.0.0 has been published in October 2023

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 5.0.0) for water as solvent, Atmos. Chem. Phys., 23, 10901-12440 (2023), doi:10.5194/acp-23-10901-2023

The publication from 2023 replaces that from 2015, which is now obsolete. Please do not cite the old paper anymore.

Henry's Law Constants → Organic species with phosphorus (P) → Phosphorus (C, H, O, N, Cl, Br, S, P) → methylparathion

FORMULA:C8H10NO5PS
TRIVIAL NAME: parathion-methyl
CAS RN:298-00-0
STRUCTURE
(FROM NIST):
InChIKey:RLBIQVVOMOPOHC-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
5.0×101 Mackay and Shiu (1981) L
1.7×101 Chao et al. (2017) M
2.6×102 Rice et al. (1997b) M 12)
1.6×102 Fendinger and Glotfelty (1990) M
9.9×101 Metcalfe et al. (1980) M
4.7×101 Mackay et al. (2006d) V
9.9×101 Woodrow et al. (1990) V
4.7×101 Suntio et al. (1988) V 12)
9.2×101 Glotfelty et al. (1987) V
2.1×103 Sanders and Seiber (1983) V 88)
1.6×102 Metcalfe et al. (1980) V
1.3×10−1 Smith and Bomberger (1980) V 24)
4.7×10−1 Barcelo and Hennion (1997) X 569)
2.1×101 Goodarzi et al. (2010) Q 570)
1.5×101 Hilal et al. (2008) Q

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

  • Barcelo, D. & Hennion, M. C.: Trace Determination of Pesticides and Their Degradation Products in Water, Elsevier Science, Amsterdam, ISBN 9780444818423 (1997).
  • Chao, H.-P., Lee, J.-F., & Chiou, C. T.: Determination of the Henry’s law constants of low-volatility compounds via the measured air-phase transfer coefficients, Wat. Res., 120, 238–244, doi:10.1016/J.WATRES.2017.04.074 (2017).
  • Fendinger, N. J. & Glotfelty, D. E.: Henry’s law constants for selected pesticides, PAHs and PCBs, Environ. Toxicol. Chem., 9, 731–735, doi:10.1002/ETC.5620090606 (1990).
  • Glotfelty, D. E., Seiber, J. N., & Liljedahl, A.: Pesticides in fog, Nature, 325, 602–605, doi:10.1038/325602A0 (1987).
  • Goodarzi, M., Ortiz, E. V., Coelho, L. D. S., & Duchowicz, P. R.: Linear and non-linear relationships mapping the Henry’s law parameters of organic pesticides, Atmos. Environ., 44, 3179–3186, doi:10.1016/J.ATMOSENV.2010.05.025 (2010).
  • 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).
  • Mackay, D. & 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., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Nitrogen and Sulfur Containing Compounds and Pesticides, CRC/Taylor & Francis Group, doi:10.1201/9781420044393 (2006d).
  • Metcalfe, C. D., McLeese, D. W., & Zitko, V.: Rate of volatilization of fenitrothion from fresh water, Chemosphere, 9, 151–155, doi:10.1016/0045-6535(80)90086-7 (1980).
  • Rice, C. P., Chernyak, S. M., & McConnell, L. L.: Henry’s law constants for pesticides measured as a function of temperature and salinity, J. Agric. Food Chem., 45, 2291–2298, doi:10.1021/JF960834U (1997b).
  • Sanders, P. F. & Seiber, J. N.: A chamber for measuring volatilization of pesticides from model soil and water disposal systems, Chemosphere, 12, 999–1012, doi:10.1016/0045-6535(83)90252-7 (1983).
  • Smith, J. H. & Bomberger, D. C.: Prediction of volatilization rate of chemicals in water, in: Hydrocarbons and Halogenated Hydrocarbons in the Aquatic Environment, edited by Afghan, B. K., Mackay, D., Braun, H. E., Chau, A. S. Y., Lawrence, J., Lean, D. R. S., Meresz, O., Miles, J. R. W., Pierce, R. C., Rees, G. A. V., White, R. E., Whittle, D. M., & Williams, D. T., pp. 445–451, Plenum Press New York (1980).
  • Suntio, L. R., Shiu, W. Y., Mackay, D., Seiber, J. N., & Glotfelty, D.: Critical review of Henry’s law constants for pesticides, Rev. Environ. Contam. Toxicol., 103, 1–59, doi:10.1007/978-1-4612-3850-8_1 (1988).
  • Woodrow, J. E., McChesney, M. M., & Seiber, J. N.: Modeling the volatilization of pesticides and their distribution in the atmosphere, in: Long Range Transport of Pesticides, edited by Kurtz, D. A., pp. 61–81, CRC Press (1990).

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 (2023) for further details.

Notes

12) Value at T = 293 K.
24) Value at "room temperature".
88) Value at T = 295 K.
569) Value given here as quoted by Goodarzi et al. (2010).
570) Goodarzi et al. (2010) compared several QSPR methods and found that the Levenberg-Marquardt algorithm with Bayesian regularization produces the best results. Values obtained with other methods can be found in their supplement.

The numbers of the notes are the same as in Sander (2023). References cited in the notes can be found here.

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