Henry's Law Constants

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

Errata

Contact, Imprint, Acknowledgements

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 Please do not cite the old paper anymore.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) → phosphoric acid, trimethyl ester

FORMULA:	C₃H₉O₄P
TRIVIAL NAME:	trimethyl phosphate
CAS RN:	512-56-1
STRUCTURE (FROM NIST):
InChIKey:	WVLBCYQITXONBZ-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
1.4×10³		Wolfenden and Williams (1983)	M	12)
6.3×10¹		Yaws (2003)	X	238)
6.1×10¹		Gharagheizi et al. (2010)	Q	247)
1.4×10³		Bartelt-Hunt et al. (2008)	?	21)
5.2×10¹		Yaws (1999)	?	21)

Data

The first column contains Henry's law solubility constant

H_{s}^{cp}

at the reference temperature of 298.15 K.
The second column contains the temperature dependence

d ln H_{s}^{cp} / d
(1/ T)

, also at the reference temperature.

References

Bartelt-Hunt, S. L., Knappe, D. R. U., & Barlaz, M. A.: A review of chemical warfare agent simulants for the study of environmental behavior, Crit. Rev. Environ. Sci. Technol., 38, 112–136, doi:10.1080/10643380701643650 (2008).
Gharagheizi, F., Abbasi, R., & Tirandazi, B.: Prediction of Henry’s law constant of organic compounds in water from a new group-contribution-based model, Ind. Eng. Chem. Res., 49, 10 149–10 152, doi:10.1021/IE101532E (2010).
Wolfenden, R. & Williams, R.: Affinities of phosphoric acids, esters, and amides for solvent water, J. Am. Chem. Soc., 105, 1028–1031, doi:10.1021/JA00342A063 (1983).
Yaws, C. L.: Chemical Properties Handbook, McGraw-Hill, Inc., ISBN 0070734011 (1999).
Yaws, C. L.: Yaws’ Handbook of Thermodynamic and Physical Properties of Chemical Compounds, Knovel: Norwich, NY, USA, ISBN 1591244447 (2003).

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.
238)	Value given here as quoted by Gharagheizi et al. (2010).
247)	Calculated using a combination of a group contribution method and neural networks.

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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