Henry's Law Constants

Rolf Sander

NEW: Version 5.0.0 has been published in October 2023

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany


Henry's Law Constants





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 Please do not cite the old paper anymore.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 ConstantsOrganic species with bromine (Br)Bromocarbons (C, H, O, N, Br) → bromomethane

TRIVIAL NAME: methyl bromide
CAS RN:74-83-9

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
1.5×10−3 3300 Burkholder et al. (2019) L 777)
1.5×10−3 3000 Burkholder et al. (2019) L 71)
1.7×10−3 3100 Burkholder et al. (2015) L
1.5×10−3 3000 Burkholder et al. (2015) L 71)
1.5×10−3 3800 Brockbank (2013) L
1.7×10−3 3100 Sander et al. (2011) L
1.7×10−3 3100 Sander et al. (2006) L
1.7×10−3 3100 Staudinger and Roberts (2001) L
1.6×10−3 3100 Wilhelm et al. (1977) L
1.3×10−3 2800 Hiatt (2013) M
2.0×10−3 Thomas et al. (2006) M 155) 705)
1.8×10−3 2500 De Bruyn and Saltzman (1997) M 778)
1.4×10−3 Gan and Yates (1996) M 295)
1.7×10−3 3400 Elliott and Rowland (1993) M
1.5×10−3 2600 Swain and Thornton (1962) M
1.6×10−3 3200 Glew and Moelwyn-Hughes (1953) M 779)
1.6×10−3 Mackay et al. (2006b) V
1.6×10−3 Lide and Frederikse (1995) V
1.6×10−3 Mackay et al. (1993) V
1.9×10−3 Mackay and Shiu (1981) V 12)
1.5×10−3 Hine and Mookerjee (1975) V
1.5×10−3 Yaws (2003) X 238)
4.4×10−5 350 Goldstein (1982) X 299)
1.8×10−4 Keshavarz et al. (2022) Q
3.5×10−3 Duchowicz et al. (2020) Q 185)
5.5×10−4 Wang et al. (2017) Q 81) 239)
3.8×10−3 Wang et al. (2017) Q 81) 240)
2.3×10−3 Wang et al. (2017) Q 81) 241)
3.7×10−3 Gharagheizi et al. (2012) Q
1.2×10−3 Raventos-Duran et al. (2010) Q 243) 244)
3.1×10−3 Raventos-Duran et al. (2010) Q 245)
1.2×10−3 Raventos-Duran et al. (2010) Q 246)
1.7×10−3 Gharagheizi et al. (2010) Q 247)
2.3×10−3 Modarresi et al. (2007) Q 68)
3400 Kühne et al. (2005) Q
1.9×10−3 Yaffe et al. (2003) Q 249) 250)
1.8×10−3 Yao et al. (2002) Q 230)
1.2×10−3 English and Carroll (2001) Q 231) 232)
9.9×10−5 Katritzky et al. (1998) Q
1.5×10−3 Suzuki et al. (1992) Q 233)
3.1×10−3 Nirmalakhandan and Speece (1988) Q
7.9×10−4 Irmann (1965) Q
1.3×10−3 Duchowicz et al. (2020) ? 21) 186)
1.8×10−3 Thomas et al. (2006) ? 155) 706)
3200 Kühne et al. (2005) ?
1.5×10−3 Yaws (1999) ? 21)
1.7×10−3 Yates and Gan (1998) ?
1.4×10−3 Yaws and Yang (1992) ? 21)
1.6×10−3 Abraham et al. (1990) ?


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.


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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.


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.
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.
81) Value at T = 288 K.
155) Value at T = 290 K.
185) Value from the validation set for checking whether the model is satisfactory for compounds that are absent from the training set.
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.
295) Value at T = 294 K.
299) Value given here as quoted by Staudinger and Roberts (1996).
705) Henry's law constants were evaluated using data from Florida sandy field soil.
706) According to Thomas et al. (2006), theoretical Henry's law constants were calculated using the "normal boiling point, the critical temperature, and the enthalpy of volatilization at the normal boiling point".
777) The H298 and A, B data listed in Table 5-4 of Burkholder et al. (2019) are inconsistent, with 11 % difference.
778) The data from De Bruyn and Saltzman (1997) were fitted to the three-parameter equation: Hscp= exp( −521.17646 +25057.64644/T +75.60914 ln(T)) mol m−3 Pa−1, with T in K.
779) The data from Glew and Moelwyn-Hughes (1953) were fitted to the three-parameter equation: Hscp= exp( −184.73597 +10636.09284/T +25.03175 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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