When referring to the compilation of Henry's Law Constants, please cite
this publication:
R. Sander: Compilation of Henry's law constants (version 4.0) for
water as solvent, Atmos. Chem. Phys., 15, 4399-4981 (2015),
doi:10.5194/acp-15-4399-2015
|
FORMULA: | C10H7CH3 |
CAS RN: | 91-57-6 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | QIMMUPPBPVKWKM-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
1.8×10−2 |
5600 |
Fogg and Sangster (2003) |
L |
|
3.5×10−2 |
5500 |
Hiatt (2013) |
M |
|
1.6×10−2 |
|
Altschuh et al. (1999) |
M |
|
1.9×10−2 |
5400 |
Bamford et al. (1999a) |
M |
|
2.2×10−2 |
|
De Maagd et al. (1998) |
M |
9)
|
5.0×10−5 |
1200 |
Hansen et al. (1993) |
M |
105)
|
3.1×10−2 |
|
Fendinger and Glotfelty (1990) |
M |
|
2.0×10−2 |
|
Mackay et al. (2006a) |
V |
|
2.6×10−2 |
|
De Maagd et al. (1998) |
V |
9)
|
2.0×10−2 |
|
Shiu and Mackay (1997) |
V |
|
2.4×10−2 |
|
Meylan and Howard (1991) |
V |
|
2.0×10−2 |
|
Eastcott et al. (1988) |
V |
|
2.4×10−2 |
|
Mackay and Shiu (1981) |
V |
|
2.0×10−2 |
|
Mackay et al. (1992b) |
X |
142)
|
2.6×10−2 |
|
Hilal et al. (2008) |
Q |
|
|
5500 |
Kühne et al. (2005) |
Q |
|
1.7×10−2 |
|
Meylan and Howard (1991) |
Q |
|
|
5700 |
Kühne et al. (2005) |
? |
|
2.0×10−2 |
|
Yaws and Yang (1992) |
? |
92)
|
|
|
Shiu and Ma (2000) |
W |
140)
|
Data
The first column contains Henry's law solubility constant
at the reference temperature of 298.15 K.
The second column contains the temperature dependence
, also at the
reference temperature.
References
-
Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., & Piringer, O. G.: Henry’s law constants for a diverse set of organic chemicals: Experimental determination and comparison of estimation methods, Chemosphere, 39, 1871–1887, doi:10.1016/S0045-6535(99)00082-X (1999).
-
Bamford, H. A., Poster, D. L., & Baker, J. E.: Temperature dependence of Henry’s law constants of thirteen polycyclic aromatic hydrocarbons between 4 ∘C and 31 ∘C, Environ. Toxicol. Chem., 18, 1905–1912, doi:10.1002/etc.5620180906 (1999a).
-
De Maagd, P. G.-J., Ten Hulscher, D. T. E. M., van den Heuvel, H., Opperhuizen, A., & Sijm, D. T. H. M.: Physicochemical properties of polycyclic aromatic hydrocarbons: Aqueous solubilities, n-octanol/water partition coefficients, and Henry’s law constants, Environ. Toxicol. Chem., 17, 251–257, doi:10.1002/etc.5620170216 (1998).
-
Eastcott, L., Shiu, W. Y., & Mackay, D.: Environmentally relevant physical-chemical properties of hydrocarbons: A review of data and development of simple correlations, Oil Chem. Pollut., 4, 191–216, doi:10.1016/S0269-8579(88)80020-0 (1988).
-
Fendinger, N. J. & Glotfelty, D. E.: Henry’s law constants for selected pesticides, PAHs and PCBs, Environ. Toxicol. Chem., 9, 731–735, doi:10.1002/ETC.5620090606 (1990).
-
Fogg, P. & Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc. (2003).
-
Hansen, K. C., Zhou, Z., Yaws, C. L., & Aminabhavi, T. M.: Determination of Henry’s law constants of organics in dilute aqueous solutions, J. Chem. Eng. Data, 38, 546–550, doi:10.1021/JE00012A017 (1993).
-
Hiatt, M. H.: Determination of Henry’s law constants using internal standards with benchmark values, J. Chem. Eng. Data, 58, 902–908, doi:10.1021/JE3010535 (2013).
-
Hilal, S. H., Ayyampalayam, S. N., & Carreira, L. A.: Air-liquid partition coefficient for a diverse set of organic compounds: Henry’s law constant in water and hexadecane, Environ. Sci. Technol., 42, 9231–9236, doi:10.1021/ES8005783 (2008).
-
Kühne, R., Ebert, R.-U., & Schüürmann, G.: Prediction of the temperature dependency of Henry’s law constant from chemical structure, Environ. Sci. Technol., 39, 6705–6711, doi:10.1021/ES050527H (2005).
-
Mackay, D. & Shiu, W. Y.: A critical review of Henry’s law constants for chemicals of environmental interest, J. Phys. Chem. Ref. Data, 10, 1175–1199, doi:10.1063/1.555654 (1981).
-
Mackay, D., Shiu, W. Y., & Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. II of Polynuclear Aromatic Hydrocarbons, Polychlorinated Dioxins, and Dibenzofurans, Lewis Publishers, Boca Raton (1992b).
-
Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Introduction and Hydrocarbons, CRC/Taylor & Francis Group (2006a).
-
Meylan, W. M. & Howard, P. H.: Bond contribution method for estimating Henry’s law constants, Environ. Toxicol. Chem., 10, 1283–1293, doi:10.1002/ETC.5620101007 (1991).
-
Shiu, W. Y. & Ma, K.-C.: Temperature dependence of physical-chemical properties of selected chemicals of environmental interest. I. mononuclear and polynuclear aromatic hydrocarbons, J. Phys. Chem. Ref. Data, 29, 41–130, doi:10.1063/1.556055 (2000).
-
Shiu, W.-Y. & Mackay, D.: Henry’s law constants of selected aromatic hydrocarbons, alcohols, and ketones, J. Chem. Eng. Data, 42, 27–30, doi:10.1021/JE960218U (1997).
-
Yaws, C. L. & Yang, H.-C.: Henry’s law constant for compound in water, in: Thermodynamic and Physical Property Data, edited by Yaws, C. L., pp. 181–206, Gulf Publishing Company, Houston, TX (1992).
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 (2015) for further details.
Notes
9) |
Value at T = 293 K. |
92) |
Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species. |
105) |
The same data were also published in Hansen et al. (1995). |
140) |
Because of discrepancies between the values shown in Tables 4 and 5 of Shiu and Ma (2000), the data are not used here. |
142) |
Value given here as quoted by Haynes (2014). |
The numbers of the notes are the same as
in Sander (2015). References cited in the notes can be
found here.
|
* * *
Search Henry's Law Database
* * *
Convert Henry's Law Constants
* * *
|