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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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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 Please do not cite the old paper anymore.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 chlorine (Cl) → Chlorocarbons (C, H, Cl) → dichloromethane

FORMULA:CH2Cl2
TRIVIAL NAME: methylene chloride
CAS RN:75-09-2
STRUCTURE
(FROM NIST):
InChIKey:YMWUJEATGCHHMB-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
3.9×10−3 3500 Schwardt et al. (2021) L 1)
3.9×10−3 3700 Burkholder et al. (2019) L
3.5×10−3 3900 Burkholder et al. (2019) L 71)
3.9×10−3 3700 Burkholder et al. (2015) L
3.5×10−3 3900 Burkholder et al. (2015) L 71)
3.7×10−3 3300 Brockbank (2013) L 1)
3.6×10−3 4100 Sander et al. (2011) L
3.9×10−3 3700 Warneck (2007) L
3.6×10−3 4100 Sander et al. (2006) L
3.6×10−3 4100 Staudinger and Roberts (2001) L
3.6×10−3 4100 Staudinger and Roberts (1996) L
3.8×10−3 Mackay and Shiu (1981) L
4.0×10−3 3900 Hiatt (2013) M
3.5×10−3 2300 Chen et al. (2012) M
3.6×10−3 3700 Ooki and Yokouchi (2011) M 71)
3.2×10−3 Helburn et al. (2008) M
4.3×10−3 3500 Lutsyk et al. (2005) M
3.3×10−3 4200 Moore (2000) M 71)
3.9×10−3 David et al. (2000) M 73)
3.4×10−3 McIntosh and Heffron (2000) M 14)
4.1×10−3 Ryu and Park (1999) M
3.4×10−3 Chiang et al. (1998) M 12) 654)
3.7 Welke et al. (1998) M
5.1×10−3 Hovorka and Dohnal (1997) M 12)
3.7×10−3 3200 Kondoh and Nakajima (1997) M
4.3×10−3 3500 Park et al. (1997) M
4.1×10−3 Hoff et al. (1993) M
3.8×10−3 Li et al. (1993) M
3.9×10−3 3400 Wright et al. (1992) M 655)
3.9×10−3 3500 Tse et al. (1992) M
4.4×10−3 Yu (1992) M 12)
3.4×10−3 Guitart et al. (1989) M 14)
3.4×10−3 4200 Ashworth et al. (1988) M 279)
4.6×10−3 3800 Gossett (1987) M
5.7×10−3 Hellmann (1987) M 88)
5.2×10−3 Yurteri et al. (1987) M 12)
3.8×10−3 4500 Gossett et al. (1985) M
3.4×10−3 4200 Lincoff and Gossett (1984) M
3.0×10−3 3600 Leighton and Calo (1981) M
3.1×10−3 Warner et al. (1980) M
2.8×10−3 Sato and Nakajima (1979b) M 14)
3.3×10−3 Pearson and McConnell (1975) M 12) 651)
4.2×10−3 4400 Hartkopf and Karger (1973) M
4.1×10−3 4000 Rex (1906) M
2.7×10−3 Mackay et al. (2006b) V
3.5×10−3 4100 Fogg and Sangster (2003) V
4.0×10−3 Park et al. (1997) V
5.9×10−3 Mackay et al. (1993) V
2.9×10−3 Hwang et al. (1992) V
3.2×10−3 Warner et al. (1980) V
4.0×10−3 Dilling (1977) V 653)
1.2×10−2 Dilling (1977) V 154)
4.3×10−3 Hine and Mookerjee (1975) V
4.0×10−3 Dilling et al. (1975) V
4.0×10−3 Yaws (2003) X 238)
3.1×10−3 3600 Goldstein (1982) X 299)
4.2×10−3 Harrison et al. (1993) C
3.4×10−3 Harrison et al. (1993) C
4.7×10−3 Ryan et al. (1988) C
3.1×10−3 Shen (1982) C
3.7×10−3 Dilling (1977) C
3.7×10−3 Dilling et al. (1975) C
5.6×10−3 Hayer et al. (2022) Q 20)
8.8×10−3 Keshavarz et al. (2022) Q
2.6×10−3 Duchowicz et al. (2020) Q
6.2×10−4 Wang et al. (2017) Q 81) 239)
1.4×10−2 Wang et al. (2017) Q 81) 240)
9.3×10−3 Wang et al. (2017) Q 81) 241)
2.9×10−3 Gharagheizi et al. (2012) Q
3.1×10−3 Raventos-Duran et al. (2010) Q 243) 244)
1.2×10−2 Raventos-Duran et al. (2010) Q 245)
9.9×10−4 Raventos-Duran et al. (2010) Q 246)
4.1×10−3 Gharagheizi et al. (2010) Q 247)
9.0×10−3 Hilal et al. (2008) Q
1.8×10−3 Modarresi et al. (2007) Q 68)
3000 Kühne et al. (2005) Q
3.8×10−3 Yaffe et al. (2003) Q 249) 250)
3.0×10−3 Yao et al. (2002) Q 230)
1.8×10−3 English and Carroll (2001) Q 231) 261)
6.4×10−4 Katritzky et al. (1998) Q
2.2×10−3 Nirmalakhandan and Speece (1988) Q
3.0×10−3 Duchowicz et al. (2020) ? 21) 186)
3.3×10−3 Mackay et al. (2006b) ?
3900 Kühne et al. (2005) ?
4.0×10−3 Yaws (1999) ? 21)
2.9×10−3 Abraham and Weathersby (1994) ? 21)
3.3×10−3 Mackay et al. (1993) ?
4.0×10−3 Yaws and Yang (1992) ? 21)
3.7×10−3 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.
12) Value at T = 293 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.
71) Solubility in sea water.
73) Value at T = 296 K.
81) Value at T = 288 K.
88) Value at T = 295 K.
154) Value at T = 275 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.
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.
261) Value from the validation dataset.
279) Data are taken from the report by Howe et al. (1987).
299) Value given here as quoted by Staudinger and Roberts (1996).
651) The same data were also published in McConnell et al. (1975).
653) Values at different temperatures are from different sources. Thus a temperature dependence was not calculated.
654) Chiang et al. (1998) show vinyl chloride in their Table 2 but most probably they meant to refer to dichloromethane instead.
655) The data from Wright et al. (1992) were fitted to the three-parameter equation: Hscp= exp( −444.17924 +22456.73010/T +63.76504 ln(T)) mol m−3 Pa−1, with T in K.

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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