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 Please do not cite the old paper anymore.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) → Terpenes and terpenoids → 1-methyl-4-(1-methylethyl)-1,4-cyclohexadiene

FORMULA:	C₁₀H₁₆
TRIVIAL NAME:	γ-terpinene
CAS RN:	99-85-4
STRUCTURE (FROM NIST):
InChIKey:	YKFLAYDHMOASIY-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
5.7×10⁻⁴	4300	Plyasunov and Shock (2000)	L
4.5×10⁻⁴		Schuhfried et al. (2015)	M
3.8×10⁻⁴	4800	Copolovici and Niinemets (2005)	M
4.4×10⁻⁴		Duchowicz et al. (2020)	V	187)
3.8×10⁻⁴		Copolovici and Niinemets (2005)	V
2.8×10⁻⁴		Niinemets and Reichstein (2002)	V
5.4×10⁻⁴	8000	Li et al. (1998)	V
6.2×10⁻⁴		Dupeux et al. (2022)	Q	260)
2.1×10⁻⁴		Duchowicz et al. (2020)	Q
3.4×10⁻⁴		Katritzky et al. (1998)	Q

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

Copolovici, L. O. & Niinemets, U.: Temperature dependencies of Henry’s law constants and octanol/water partition coefficients for key plant volatile monoterpenoids, Chemosphere, 61, 1390–1400, doi:10.1016/J.CHEMOSPHERE.2005.05.003 (2005).
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).
Dupeux, T., Gaudin, T., Marteau-Roussy, C., Aubry, J.-M., & Nardello-Rataj, V.: COSMO-RS as an effective tool for predicting the physicochemical properties of fragrance raw materials, Flavour Fragrance J., 37, 106–120, doi:10.1002/FFJ.3690 (2022).
Katritzky, A. R., Wang, Y., Sild, S., Tamm, T., & Karelson, M.: QSPR studies on vapor pressure, aqueous solubility, and the prediction of water-air partition coefficients, J. Chem. Inf. Comput. Sci., 38, 720–725, doi:10.1021/CI980022T (1998).
Li, J., Perdue, E. M., Pavlostathis, S. G., & Araujo, R.: Physicochemical properties of selected monoterpenes, Environ. Int., 24, 353–358, doi:10.1016/S0160-4120(98)00013-0 (1998).
Niinemets, U. & Reichstein, M.: A model analysis of the effects of nonspecific monoterpenoid storage in leaf tissues on emission kinetics and composition in Mediterranean sclerophyllous Quercus species, Global Biogeochem. Cycles, 16, 1110, doi:10.1029/2002GB001927 (2002).
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).
Schuhfried, E., Aprea, E., Märk, T. D., & Biasioli, F.: Refined measurements of Henry’s law constant of terpenes with inert gas stripping coupled with PTR-MS, Water Air Soil Pollut., 226, 120, doi:10.1007/S11270-015-2337-2 (2015).

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

187)	Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN.
260)	Calculated using the COSMO-RS method.

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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