Chlorine dioxide

• Formula: ClO₂
• Molecular weight: 67.452
• IUPAC Standard InChI: InChI=1S/ClO2/c2-1-3 Copy

  
• IUPAC Standard InChIKey: OSVXSBDYLRYLIG-UHFFFAOYSA-N Copy
• CAS Registry Number: 10049-04-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Chlorine oxide (ClO2); Chlorine(IV) oxide; Chloryl radical; Doxcide 50; Chlorine oxide; ClO2; Alcide; Anthium dioxcide; Chlorine peroxide; Chloroperoxyl
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Henry's Law data
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Gas Phase Kinetics Database
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Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Phase change 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.

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to ClO₂⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas phase ion energetics data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Flesch, Ruhl, et al., 1993
Flesch, R.; Ruhl, E.; Hottmann, K.; Baumgartel, H., Photoabsorption and photoionization of chlorine dioxide, J. Phys. Chem., 1993, 97, 837. [all data]

Alekseev, Zyubina, et al., 1989
Alekseev, V.I.; Zyubina, T.S.; Zyubin, A.S.; Baluev, A.V., Mass-spectrometric and quantum-chemical investigation of thermochemical characteristics of chlorine oxides, J. Am. Chem. Soc., 1989, 2092. [all data]

Baluev, Nikitina, et al., 1980
Baluev, A.V.; Nikitina, Z.K.; Fedorova, L.I.; Rosolovskii, V.Ya., Mass spectrometric investigation of electron-impact induced ionization of chlorine dioxide and chloryl fluoride molecules, Izv. Akad. Nauk SSSR, Ser. Khim., 1980, 1963. [all data]

Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A., The photoelectron spectrum of the free radical chlorine dioxide, Chem. Phys. Lett., 1971, 10, 345. [all data]

Fisher, 1967
Fisher, I.P., Mass spectrometry study of intermediates in thermal decomposition of perchloric acid and chlorine dioxide, J. Chem. Soc. Faraday Trans., 1967, 63, 684. [all data]

Cornford, Frost, et al., 1972
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A., Photoelectron spectra of some free radicals, Faraday Discuss. Chem. Soc., 1972, 54, 56. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy

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