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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

Notes

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 Please do not cite the old paper anymore.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) → tetrachloromethane

FORMULA:CCl4
TRIVIAL NAME: carbontetrachloride
CAS RN:56-23-5
STRUCTURE
(FROM NIST):
InChIKey:VZGDMQKNWNREIO-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
3.4×10−4 4200 Schwardt et al. (2021) L 1)
3.6×10−4 4300 Burkholder et al. (2019) L
2.6×10−4 4200 Burkholder et al. (2019) L 71)
3.6×10−4 4300 Burkholder et al. (2015) L
2.6×10−4 4200 Burkholder et al. (2015) L 71)
3.5×10−4 4200 Brockbank (2013) L 1) 661)
3.4×10−4 4200 Sander et al. (2011) L
3.6×10−4 4300 Warneck (2007) L
3.4×10−4 4200 Sander et al. (2006) L
3.4×10−4 4200 Staudinger and Roberts (2001) L
3.4×10−4 4200 Staudinger and Roberts (1996) L
5.0×10−4 Mackay and Shiu (1981) L
5.0×10−4 4500 Hiatt (2013) M
3.0×10−4 4400 Chen et al. (2012) M
3.4×10−4 3800 Lutsyk et al. (2005) M
3.8×10−4 Ryu and Park (1999) M
4.0×10−4 Chiang et al. (1998) M 12)
2.9×10−4 3700 Bullister and Wisegarver (1998) M 662)
4.4×10−4 1900 Kondoh and Nakajima (1997) M
3.9×10−4 2600 Park et al. (1997) M
3.8×10−4 4400 Dewulf et al. (1995) M
3.6×10−4 Hoff et al. (1993) M
3.3×10−4 3600 Hansen et al. (1993) M 282)
2.3×10−4 Li and Carr (1993) M
2.9×10−4 4500 Wright et al. (1992) M 663)
3.8×10−4 3600 Tse et al. (1992) M
3.4×10−4 4100 Tancrède and Yanagisawa (1990) M
2.8×10−4 5600 Bissonette et al. (1990) M
3.3×10−4 4000 Ashworth et al. (1988) M 279)
3.3×10−4 4400 Gossett (1987) M
3.3×10−4 4300 Munz and Roberts (1987) M
3.3×10−4 Hellmann (1987) M 88)
4.3×10−4 Yurteri et al. (1987) M 12)
4.2×10−4 Munz and Roberts (1986) M
4.1×10−4 3200 Hunter-Smith et al. (1983) M 660)
3.6×10−4 4400 Leighton and Calo (1981) M
3.3×10−4 Warner et al. (1980) M
3.2×10−4 3300 Balls (1980) M
9.7×10−5 Sato and Nakajima (1979b) M 14)
4.5×10−4 Pearson and McConnell (1975) M 12) 651)
3.7×10−4 5200 Hartkopf and Karger (1973) M
3.5×10−4 4400 Rex (1906) M
3.4×10−4 Mackay et al. (2006b) V
3.6×10−4 4200 Fogg and Sangster (2003) V
4.3×10−4 Park et al. (1997) V
3.4×10−4 Mackay et al. (1993) V
3.4×10−4 Hwang et al. (1992) V
6.7×10−5 Ballschmiter and Wittlinger (1991) V
3.5×10−4 Warner et al. (1980) V
4.6×10−4 Smith and Bomberger (1980) V 24)
3.4×10−4 Dilling (1977) V
3.4×10−4 Hine and Mookerjee (1975) V
2.0×10−4 Pierotti (1965) T
3.4×10−4 Yaws (2003) X 238)
3.3×10−4 1100 Goldstein (1982) X 299)
3.8×10−4 Harrison et al. (1993) C
2.1×10−4 Harrison et al. (1993) C
4.5×10−4 Ryan et al. (1988) C
3.3×10−4 Shen (1982) C
4.6×10−4 Dilling (1977) C
3.7×10−4 Liss and Slater (1974) C
4.9×10−4 Hayer et al. (2022) Q 20)
5.4×10−4 Keshavarz et al. (2022) Q
6.3×10−4 Duchowicz et al. (2020) Q
3.4×10−4 Li et al. (2014) Q 242)
3.2×10−3 Gharagheizi et al. (2012) Q
3.1×10−4 Gharagheizi et al. (2010) Q 247)
5.4×10−4 Hilal et al. (2008) Q
2.3×10−4 Modarresi et al. (2007) Q 68)
3700 Kühne et al. (2005) Q
3.5×10−4 Yaffe et al. (2003) Q 249) 250)
2.1×10−4 English and Carroll (2001) Q 231) 232)
3.4×10−5 Katritzky et al. (1998) Q
3.5×10−4 Nirmalakhandan and Speece (1988) Q
4.1×10−4 Arbuckle (1983) Q
3.6×10−4 Duchowicz et al. (2020) ? 21) 186)
1.2×10−4 MacBean (2012a) ?
3.3×10−4 Mackay et al. (2006b) ?
4300 Kühne et al. (2005) ?
3.4×10−4 Yaws (1999) ? 21)
1.0×10−4 Abraham and Weathersby (1994) ? 21)
3.3×10−4 Mackay et al. (1993) ?
3.3×10−4 Yaws and Yang (1992) ? 21)
3.5×10−4 Abraham et al. (1990) ?
4.3×10−4 Mackay and Yeun (1983) ?
1.1×10−3 Chiou et al. (1980) ? 80)

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.
24) Value at "room temperature".
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.
80) Value at T = 297 K.
88) Value at T = 295 K.
186) Experimental value, extracted from HENRYWIN.
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.
238) Value given here as quoted by Gharagheizi et al. (2010).
242) Temperature is not specified.
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.
279) Data are taken from the report by Howe et al. (1987).
282) The same data were also published in Hansen et al. (1995).
299) Value given here as quoted by Staudinger and Roberts (1996).
651) The same data were also published in McConnell et al. (1975).
660) Probably an interpolation of the data from Balls (1980).
661) Values at 298 K in Tables C2 and C5 of Brockbank (2013) are inconsistent, with 5 % difference.
662) The data from Bullister and Wisegarver (1998) were fitted to the three-parameter equation: Hscp= exp( −704.15798 +34144.64622/T +102.06046 ln(T)) mol m−3 Pa−1, with T in K.
663) The data from Wright et al. (1992) were fitted to the three-parameter equation: Hscp= exp( −426.63883 +22457.44484/T +60.22986 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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