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 Please do not cite the old paper anymore.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 → Hydrocarbons (C, H) → Aliphatic alkynes → 3-buten-1-yne

FORMULA:	CH₂CHCCH
TRIVIAL NAME:	vinylacetylene
CAS RN:	689-97-4
STRUCTURE (FROM NIST):
InChIKey:	WFYPICNXBKQZGB-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
4.1×10⁻⁴	1700	Plyasunov and Shock (2000)	L
3.7×10⁻⁴	1700	Wilhelm et al. (1977)	L
3.8×10⁻⁴	1800	Simpson and Lovell (1962)	M	325)
3.4×10⁻⁴		Duchowicz et al. (2020)	V	187)
3.4×10⁻⁴		HSDB (2015)	V
1.1×10⁻²		Duchowicz et al. (2020)	Q
1.1×10⁻³		Hilal et al. (2008)	Q
	2600	Kühne et al. (2005)	Q
	2100	Kühne et al. (2005)	?
3.5×10⁻⁴		Yaws (1999)	?	21) 38)

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

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).
HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL https://www.nlm.nih.gov/toxnet/Accessing_HSDB_Content_from_PubChem.html (2015).
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).
Plyasunov, A. V. & Shock, E. L.: Thermodynamic functions of hydration of hydrocarbons at 298.15K and 0.1MPa, Geochim. Cosmochim. Acta, 64, 439–468, doi:10.1016/S0016-7037(99)00330-0 (2000).
Simpson, L. B. & Lovell, F. P.: Solubility of methyl, ethyl, and vinyl acetylene in several solvents, J. Chem. Eng. Data, 7, 498–552, doi:10.1021/JE60015A017 (1962).
Wilhelm, E., Battino, R., & Wilcock, R. J.: Low-pressure solubility of gases in liquid water, Chem. Rev., 77, 219–262, doi:10.1021/CR60306A003 (1977).
Yaws, C. L.: Chemical Properties Handbook, McGraw-Hill, Inc., ISBN 0070734011 (1999).

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

21)	Several references are given in the list of Henry's law constants but not assigned to specific species.
38)	Value at T = 303 K.
187)	Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN.
325)	Regression and individual data points of Simpson and Lovell (1962) are inconsistent, with 5 % difference.

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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