Nitryl chloride
- Formula: ClNO2
- Molecular weight: 81.459
- CAS Registry Number: 13444-90-1
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Henry's Law data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.024 | E | N/A | Fitting parameter used in numerical modeling. |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
11.84 | PE | Frost, Lee, et al., 1975 |
Vibrational and/or electronic energy levels
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Marilyn E. Jacox
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Td = 25000 | U | gas | Illies and Takacs, 1976 | ||||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | NO2 s-stretch | 1267.3 | s | gas | IR | Bernitt, Miller, et al., 1967 Durig, Kim, et al., 1994 |
1 | NO2 s-stretch | 1264.3 | Ar | IR | Tevault and Smardzewski, 1977 | ||
2 | NO2 scissors | 792.76 | s | gas | IR | Bernitt, Miller, et al., 1967 Durig, Kim, et al., 1994 Duxbury and McPheat, 1995 | |
2 | NO2 scissors | 787.0 | Ar | IR | Tevault and Smardzewski, 1977 | ||
3 | Cl-N stretch | 363.8 | vs | gas | IR | Bernitt, Miller, et al., 1967 Durig, Kim, et al., 1994 | |
3 | Cl-N stretch | 365.0 | Ar | IR | Tevault and Smardzewski, 1977 | ||
b1 | 4 | OPLA | 651.7 | w | gas | IR | Bernitt, Miller, et al., 1967 Durig, Kim, et al., 1994 |
b2 | 5 | NO2 a-stretch | 1683.894 | s | gas | IR | Bernitt, Miller, et al., 1967 Orphal, Morillon-Chapey, et al., 1994 Durig, Kim, et al., 1994 |
5 | NO2 a-stretch | 1674.8 | Ar | IR | Tevault and Smardzewski, 1977 | ||
6 | NO2 rock | 408.1 | w | gas | IR | Bernitt, Miller, et al., 1967 | |
Additional references: Jacox, 1994, page 212; Jacox, 1998, page 259; Filgueira, Forti, et al., 1975; Endo, 1979
Notes
w | Weak |
s | Strong |
vs | Very strong |
U | Upper bound |
d | Photodissociation threshold |
References
Go To: Top, Henry's Law data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Frost, Lee, et al., 1975
Frost, D.C.; Lee, S.T.; McDowell, C.A.; Westwood, N.P.C.,
Photoelectron spectroscopic studies of some nitrosyl and nitryl halides nitric acid,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 331. [all data]
Illies and Takacs, 1976
Illies, A.J.; Takacs, G.A.,
Gas phase ultra-violet photoabsorption cross-sections for nitrosyl chloride and nitryl chloride,
J. Photochem., 1976, 6, 1, 35, https://doi.org/10.1016/0047-2670(76)87005-0
. [all data]
Bernitt, Miller, et al., 1967
Bernitt, D.L.; Miller, R.H.; Hisatsune, I.C.,
Spectrochim. Acta, 1967, 23A, 237. [all data]
Durig, Kim, et al., 1994
Durig, J.R.; Kim, Y.H.; Guirgis, G.A.; McDonald, J.K.,
Spectrochim. Acta, 1994, 50A, 463. [all data]
Tevault and Smardzewski, 1977
Tevault, D.E.; Smardzewski, R.R.,
Matrix reactions of chlorine atoms with NO2 molecules,
J. Chem. Phys., 1977, 67, 8, 3777, https://doi.org/10.1063/1.435319
. [all data]
Duxbury and McPheat, 1995
Duxbury, G.; McPheat, R.,
High-Resolution Absorption Spectrum of the ν2Band of Nitryl Chloride, ClNO2, at 793 cm-1,
J. Mol. Spectrosc., 1995, 174, 2, 446, https://doi.org/10.1006/jmsp.1995.0015
. [all data]
Orphal, Morillon-Chapey, et al., 1994
Orphal, J.; Morillon-Chapey, M.; Guelachvili, G.,
The High-Resolution Infrared Spectrum of Nitryl Chloride: Rotational Analysis of the 35CINO2 ν4 Band Around 6 μm,
J. Mol. Spectrosc., 1994, 165, 2, 315, https://doi.org/10.1006/jmsp.1994.1135
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Filgueira, Forti, et al., 1975
Filgueira, R.R.; Forti, P.; Corbelli, G.,
Microwave spectrum and molecular force field of tetratomic C2v molecules: NO2Cl,
J. Mol. Spectrosc., 1975, 57, 1, 97, https://doi.org/10.1016/0022-2852(75)90044-2
. [all data]
Endo, 1979
Endo, K.,
Nippon Kagaku Kaishi, 1979, 1129. [all data]
Notes
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- Symbols used in this document:
d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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