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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 Please do not cite the old paper anymore.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 other elements → Silicon (Si) → octamethylcyclotetrasiloxane

FORMULA:C8H24O4Si4
TRIVIAL NAME: D4
CAS RN:556-67-2
STRUCTURE
(FROM NIST):
InChIKey:HMMGMWAXVFQUOA-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
7.3×10−7 Xu and Kropscott (2014) M
8.3×10−7 Xu and Kropscott (2012) M 88)
1.7×10−5 Kochetkov et al. (2001) M 298) 332)
1.7×10−5 Kochetkov et al. (2001) M 298) 333)
1.2×10−4 Hamelink et al. (1996) M 12)
1.5×10−6 Xu and Kropscott (2014) V
1.6×10−6 Kochetkov et al. (2001) V
8.3×10−7 Mazzoni et al. (1997) V
2.7×10−6 Hamelink et al. (1996) V 12)
5.4×10−7 Alton and Browne (2022) Q 821)
1.3×10−6 Alton and Browne (2022) Q 822)
1.1×10−6 Alton and Browne (2022) Q 823)
1.3×10−5 Keshavarz et al. (2022) Q
4.2×10−5 Duchowicz et al. (2020) Q
8.4×10−5 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

  • Alton, M. W. & Browne, E. C.: Atmospheric degradation of cyclic volatile methyl siloxanes: Radical chemistry and oxidation products, ACS Environ. Au, 2, 263–274, doi:10.1021/ACSENVIRONAU.1C00043 (2022).
  • 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).
  • Hamelink, J. L., Simon, P. B., & Silberhorn, E. M.: Henry’s law constant, volatilization rate, and aquatic half-life of octamethylcyclotetrasiloxane, Environ. Sci. Technol., 30, 1946–1952, doi:10.1021/ES950634J (1996).
  • 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).
  • Kochetkov, A., Smith, J. S., Ravikrishna, R., Valsaraj, K. T., & Thibodeaux, L. J.: Air–water partition constants for volatile methyl siloxanes, Environ. Toxicol. Chem., 20, 2184–2188, doi:10.1002/ETC.5620201008 (2001).
  • Mazzoni, S. M., Roy, S., & Grigoras, S.: Eco-relevant properties of selected organosilicon materials, in: The Handbook of Environmental Chemistry, Vol. 3. Part H. Organosilicon Materials, edited by Chandra, G., pp. 53–81, Springer Verlag, Berlin, doi:10.1007/978-3-540-68331-5 (1997).
  • Xu, S. & Kropscott, B.: A method for simultaneous determination of partition coefficients for cyclic volatile methylsiloxanes and dimethylsilanediol, Anal. Chem., 84, 1948–1955, doi:10.1021/AC202953T (2012).
  • Xu, S. & Kropscott, B.: Evaluation of the three-phase equilibrium method for measuring temperature dependence of internally consistent partition coefficients (KOW, KOA, and KAW) for volatile methylsiloxanes and trimethylsilanol, Environ. Toxicol. Chem., 33, 2702–2710, doi:10.1002/ETC.2754 (2014).

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.
88) Value at T = 295 K.
186) Experimental value, extracted from HENRYWIN.
298) Value at T = 301 K.
332) Value obtained by applying a modified batch air-stripping method, otherwise called the vapor entry loop (VEL) method; see Kochetkov et al. (2001) for details.
333) Value obtained by applying the static head space (HS) method; see Kochetkov et al. (2001) for details.
821) Calculated using HENRYWIN 3.21.
822) Calculated using vapor pressures and water solubilities from HENRYWIN 3.21.
823) Calculated using vapor pressures and water solubilities from the EPA Toxicity Estimation Software Tool (TEST).

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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