Nitryl chloride

• Formula: ClNO₂
• Molecular weight: 81.459
• CAS Registry Number: 13444-90-1
• Information on this page:
  • Gas phase thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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)

k_H(T) = k°_H exp(d(ln(k_H))/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(k_H))/d(1/T) = Temperature dependence constant (K)

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

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:   ?

State:   X

Additional references: Jacox, 1994, page 212; Jacox, 1998, page 259; Filgueira, Forti, et al., 1975; Endo, 1979

Notes

References

Go To: Top, Gas phase thermochemistry data, 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.

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 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:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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