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Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

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Henry's Law Constants

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References

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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 Please do not cite the old paper anymore.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 oxygen (O) → Alcohols (ROH) → ethanol

FORMULA:C2H5OH
CAS RN:64-17-5
STRUCTURE
(FROM NIST):
InChIKey:LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
1.9 6400 Burkholder et al. (2019) L 1)
1.9 6400 Burkholder et al. (2015) L 1)
1.8 6300 Brockbank (2013) L 1)
1.9 6400 Sander et al. (2011) L 1)
1.9 6300 Warneck (2006) L
2.0 6600 Sander et al. (2006) L
1.8 6300 Dohnal et al. (2006) L 1)
1.7 5700 Fogg and Sangster (2003) L
1.9 6300 Plyasunov and Shock (2000) L
1.9 6200 Dubowski (1979) L 1)
1.8 5900 Willey et al. (2017) M
2.2 5500 O’Farrell and Waghorne (2010) M
1.8 Vitenberg and Dobryakov (2008) M
1.9 5800 Falabella et al. (2006) M 11) 340)
1.9 Straver and de Loos (2005) M
Cheng et al. (2004) M 330)
1.1 Ueberfeld et al. (2001) M
1.8 5800 Gupta et al. (2000) M
1.3 Altschuh et al. (1999) M
1.0 Eger et al. (1999) M 14)
1.9 Merk and Riederer (1997) M
8.3×10−1 Kaneko et al. (1994) M 14)
1.9 Li and Carr (1993) M
3.1 3900 Pividal et al. (1992) M
1.9 Park et al. (1987) M
1.9 6600 Snider and Dawson (1985) M
2.0 Richon et al. (1985) M
1.9 6000 Jones (1983) M 1)
6.2 Mazza (1980) M
1.9 Rytting et al. (1978) M
2.3 Rohrschneider (1973) M
2.1 Burnett (1963) M
1.9 6500 Harger et al. (1950) M
1.9 Butler et al. (1935) M
4.7×10−2 Abraham and Acree (2007) V
1.7 6300 Fukuchi et al. (2002) V
1.3 Hwang et al. (1992) V
6300 Abraham (1984) V
1.9 6300 Plyasunov et al. (2001) T
1.4 Yaws (2003) X 238)
1.5 6400 Schaffer and Daubert (1969) X 299)
2.0 Gaffney and Senum (1984) X 391)
1.6 Timmermans (1960) X 392)
1.7 Hayer et al. (2022) Q 20)
6.7×10−1 Keshavarz et al. (2022) Q
1.1 Duchowicz et al. (2020) Q
3.1×10−1 Wang et al. (2017) Q 81) 239)
2.0 Wang et al. (2017) Q 81) 240)
2.3 Wang et al. (2017) Q 81) 241)
1.6 Raventos-Duran et al. (2010) Q 243) 244)
1.6 Raventos-Duran et al. (2010) Q 245)
1.6 Raventos-Duran et al. (2010) Q 246)
1.3 Gharagheizi et al. (2010) Q 247)
1.1 Hilal et al. (2008) Q
1.8 Modarresi et al. (2007) Q 68)
6500 Kühne et al. (2005) Q
2.0 Yaffe et al. (2003) Q 249) 250)
1.4 Yao et al. (2002) Q 230)
1.4 English and Carroll (2001) Q 231) 232)
1.2 Katritzky et al. (1998) Q
1.3 Yaws et al. (1997) Q
1.4 Russell et al. (1992) Q 280)
1.4 Suzuki et al. (1992) Q 233)
1.6 Nirmalakhandan and Speece (1988) Q
2.0 Duchowicz et al. (2020) ? 21) 186)
1.9 Bartelt-Hunt et al. (2008) ? 21)
6400 Kühne et al. (2005) ?
1.2 Yaws (1999) ? 21)
8.2×10−1 Abraham and Weathersby (1994) ? 21)
1.2 Yaws and Yang (1992) ? 21)
1.9 Abraham et al. (1990) ?

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

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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

1) A detailed temperature dependence with more than one parameter is available in the original publication. Here, only the temperature dependence at 298.15 K according to the van 't Hoff equation is presented.
11) Measured at high temperature and extrapolated to T⊖ = 298.15 K.
14) Value at T = 310 K.
20) Calculated using machine learning matrix completion methods (MCMs).
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.
81) Value at T = 288 K.
186) Experimental value, extracted from HENRYWIN.
230) Yao et al. (2002) compared two QSPR methods and found that radial basis function networks (RBFNs) are better than multiple linear regression. In their paper, they provide neither a definition nor the unit of their Henry's law constants. Comparing the values with those that they cite from Yaws (1999), it is assumed that they use the variant Hvpx and the unit atm.
231) English and Carroll (2001) provide several calculations. Here, the preferred value with explicit inclusion of hydrogen bonding parameters from a neural network is shown.
232) Value from the training dataset.
233) Calculated with a principal component analysis (PCA); see Suzuki et al. (1992) for details.
238) Value given here as quoted by Gharagheizi et al. (2010).
239) Calculated using linear free energy relationships (LFERs).
240) Calculated using SPARC Performs Automated Reasoning in Chemistry (SPARC).
241) Calculated using COSMOtherm.
243) Value from the training dataset.
244) Calculated using the GROMHE model.
245) Calculated using the SPARC approach.
246) Calculated using the HENRYWIN method.
247) Calculated using a combination of a group contribution method and neural networks.
249) Yaffe et al. (2003) present QSPR results calculated with the fuzzy ARTMAP (FAM) and with the back-propagation (BK-Pr) method. They conclude that FAM is better. Only the FAM results are shown here.
250) Value from the training set.
280) Value from the training set.
299) Value given here as quoted by Staudinger and Roberts (1996).
330) It was found that Hs changes with the concentration of the solution.
340) Values for salt solutions are also available from this reference.
391) Value given here as quoted by Gaffney et al. (1987).
392) Value given here as quoted by Hine and Weimar (1965).

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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