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 Please do not cite the old paper anymore.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

FORMULA:C9H6Cl6O3S
TRIVIAL NAME: endosulfan I
CAS RN:959-98-8
STRUCTURE
(FROM NIST):
InChIKey:RDYMFSUJUZBWLH-AMHWMVONSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
1.4 Shen and Wania (2005) L 368)
1.4 Shen and Wania (2005) L 369)
1.4 Muir et al. (2004) L 369)
1.4 Muir et al. (2004) L 368)
1.2 Chao et al. (2017) M
1.3 4200 Cetin et al. (2006) M
1.4 Altschuh et al. (1999) M
1.5×10−1 Rice et al. (1997b) M 12)
1.3×10−1 2300 Rice et al. (1997a) M
1.5 Cotham and Bidleman (1989) V
3.4×10−1 Suntio et al. (1988) V 12)
9.2×10−1 Suntio et al. (1988) C
9.6×10−2 Keshavarz et al. (2022) Q
5.2×101 Duchowicz et al. (2020) Q
8.0×10−1 Modarresi et al. (2007) Q 68)
3200 Kühne et al. (2005) Q
1.4 Duchowicz et al. (2020) ? 21) 186)
2300 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

  • 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).
  • 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).
  • 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).
  • 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).
  • Muir, D. C. G., Teixeira, C., & Wania, F.: Empirical and modeling evidence of regional atmospheric transport of current-use pesticides, Environ. Toxicol. Chem., 23, 2421–2432, doi:10.1897/03-457 (2004).
  • 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).
  • 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).

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.
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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