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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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References

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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 Please do not cite the old paper anymore.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 sulfur (S) → Sulfur (C, H, O, N, Cl, S) → β-endosulfan

FORMULA:C9H6Cl6O3S
TRIVIAL NAME: endosulfan II
CAS RN:33213-65-9
STRUCTURE
(FROM NIST):
InChIKey:RDYMFSUJUZBWLH-MDBBVBRHSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
2.5×101 Shen and Wania (2005) L 368)
2.2×101 Shen and Wania (2005) L 369)
6.4 Chao et al. (2017) M
1.9×101 3700 Cetin et al. (2006) M
2.5 Altschuh et al. (1999) M
1.1 Rice et al. (1997b) M 12)
1.1 Rice et al. (1997a) M 12)
1.6×101 Cotham and Bidleman (1989) V
1.6×103 Keshavarz et al. (2022) Q
5.2×101 Duchowicz et al. (2020) Q 185)
3.1×101 Hilal et al. (2008) Q
8.0×10−1 Modarresi et al. (2007) Q 68)
2.5×101 Duchowicz et al. (2020) ? 21) 186)

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

  • Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., & Piringer, O. G.: Henry’s law constants for a diverse set of organic chemicals: Experimental determination and comparison of estimation methods, Chemosphere, 39, 1871–1887, doi:10.1016/S0045-6535(99)00082-X (1999).
  • Cetin, B., Ozer, S., Sofuoglu, A., & Odabasi, M.: Determination of Henry’s law constants of organochlorine pesticides in deionized and saline water as a function of temperature, Atmos. Environ., 40, 4538–4546, doi:10.1016/J.ATMOSENV.2006.04.009 (2006).
  • 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).
  • Cotham, W. E. & Bidleman, T. F.: Degradation of malathion, endosulfan, and fenvalerate in seawater and seawater/sediment microcosms, J. Agric. Food Chem., 37, 824–828, doi:10.1021/JF00087A055 (1989).
  • Duchowicz, P. R., Aranda, J. F., Bacelo, D. E., & Fioressi, S. E.: QSPR study of the Henry’s law constant for heterogeneous compounds, Chem. Eng. Res. Des., 154, 115–121, doi:10.1016/J.CHERD.2019.12.009 (2020).
  • 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).
  • Keshavarz, M. H., Rezaei, M., & Hosseini, S. H.: A simple approach for prediction of Henry’s law constant of pesticides, solvents, aromatic hydrocarbons, and persistent pollutants without using complex computer codes and descriptors, Process Saf. Environ. Prot., 162, 867–877, doi:10.1016/J.PSEP.2022.04.045 (2022).
  • Modarresi, H., Modarress, H., & Dearden, J. C.: QSPR model of Henry’s law constant for a diverse set of organic chemicals based on genetic algorithm-radial basis function network approach, Chemosphere, 66, 2067–2076, doi:10.1016/J.CHEMOSPHERE.2006.09.049 (2007).
  • Rice, C. P., Chernyak, S. M., Hapeman, C. J., & Biboulian, S.: Air–water distribution of the endosulfan isomers, J. Environ. Qual., 26, 1101–1106, doi:10.2134/JEQ1997.00472425002600040022X (1997a).
  • 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).
  • Shen, L. & Wania, F.: Compilation, evaluation, and selection of physical-chemical property data for organochlorine pesticides, J. Chem. Eng. Data, 50, 742–768, doi:10.1021/JE049693F (2005).

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.
21) Several references are given in the list of Henry's law constants but not assigned to specific species.
68) Modarresi et al. (2007) use different descriptors for their calculations. They conclude that a genetic algorithm/radial basis function network (GA/RBFN) is the best QSPR model. Only these results are shown here.
185) Value from the validation set for checking whether the model is satisfactory for compounds that are absent from the training set.
186) Experimental value, extracted from HENRYWIN.
368) Literature-derived value.
369) Final adjusted value.

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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