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Nitryl chloride

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Gas phase thermochemistry 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.

Quantity Value Units Method Reference Comment
Deltafgas12.13kJ/molReviewChase, 1998Data last reviewed in December, 1965
Quantity Value Units Method Reference Comment
gas,1 bar272.19J/mol*KReviewChase, 1998Data last reviewed in December, 1965

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1100.1100. - 6000.
A 31.3220181.46499
B 102.18960.931137
C -80.67380-0.187442
D 23.466380.012932
E -0.183129-6.201693
F -1.694847-28.18794
G 281.9706347.7992
H 12.1340212.13402
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1965 Data last reviewed in December, 1965

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.024 EN/AFitting 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
11.84PEFrost, Lee, et al., 1975

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Henry's Law data, Gas phase ion energetics data, NIST Free Links, 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: Marilyn E. Jacox

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (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

wWeak
sStrong
vsVery strong
UUpper bound
dPhotodissociation threshold

References

Go To: Top, Gas phase thermochemistry data, Henry's Law data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

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 «nu»2Band 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 «nu»4 Band Around 6 «mu»m, 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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