Ozone

• Formula: O₃
• Molecular weight: 47.9982
• IUPAC Standard InChI: InChI=1S/O3/c1-3-2 Copy

  
• IUPAC Standard InChIKey: CBENFWSGALASAD-UHFFFAOYSA-N Copy
• CAS Registry Number: 10028-15-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • References
  • Notes
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
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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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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.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Antoine Equation Parameters

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

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Reaction 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.

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 +  = ( • )

By formula: O₂⁺ + O₃ = (O₂⁺ • O₃)

 +  = ( • )

By formula: NO^- + O₃ = (NO^- • O₃)

 +  = ( • )

By formula: Na⁺ + O₃ = (Na⁺ • O₃)

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

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

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = ( • )

By formula: NO^- + O₃ = (NO^- • O₃)

 +  = ( • )

By formula: Na⁺ + O₃ = (Na⁺ • O₃)

 +  = ( • )

By formula: O₂⁺ + O₃ = (O₂⁺ • O₃)

IR Spectrum

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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: Coblentz Society, Inc.

Gas Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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]

Streng, 1971
Streng, A.G., Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature, J. Chem. Eng. Data, 1971, 16, 357. [all data]

Jenkins and Birdsall, 1952
Jenkins, A.C.; Birdsall, C.M., The Vapor Pressures and Critical Constants of Pure Ozone, J. Chem. Phys., 1952, 20, 1158-61. [all data]

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]

Dotan, Davidson, et al., 1978
Dotan, I.; Davidson, J.A.; Fehsenfeld, F.C.; Albritton, D.L., Reactions of O2+.O2 with CO2, O3 and CH4 and O2+.O3 with H2O and CH4 and their Role in Stratospheric Ion Chemistry, J. Geophys. Res., 1978, 83, C8, 4036, https://doi.org/10.1029/JC083iC08p04036 . [all data]

Conway and Janik, 1970
Conway, D.C.; Janik, G.S., Determination of the Bond Energies for the Series O2 - O2+ through O2 - O10+, J. Chem. Phys., 1970, 53, 5, 1859, https://doi.org/10.1063/1.1674262 . [all data]

Fehsenfeld, 1974
Fehsenfeld, F.C., Clustering of O3 to O2+ and NO+, J. Chem. Phys., 1974, 61, 4, 1588, https://doi.org/10.1063/1.1682129 . [all data]

Rowe, Viggiano, et al., 1982
Rowe, B.R.; Viggiano, A.A.; Fehsenfeld, F.C.; Fahey, D.W.; Ferguson, E.E., Reactions between Neutrals Clustered on Ions, J. Chem. Phys., 1982, 76, 1, 742, https://doi.org/10.1063/1.442684 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Arnold, Xu, et al., 1994
Arnold, D.W.; Xu, C.S.; Kim, E.H.; Neumark, D.M., Study of low-lying electronic states of ozone by anion photoelectron spectroscopy of O-3(-), J. Chem. Phys., 1994, 101, 2, 912, https://doi.org/10.1063/1.467745 . [all data]

Novich, Engelking, et al., 1979
Novich, S.E.; Engelking, P.C.; Jones, P.L.; Futrell, J.H.; Lineberger, W.C., Laser photoelectron, photodetachment, and photodestruction spectra of O₃-, J. Chem. Phys., 1979, 70, 2652. [all data]

Rothe, Tang, et al., 1975
Rothe, E.W.; Tang, S.Y.; Reck, G.P., Measurement of electron affinities of O₃, SO₂, and SO₃ by collisional ionization, J. Chem. Phys., 1975, 62, 3829. [all data]

Wong, Vorburger, et al., 1971
Wong, S.F.; Vorburger, T.V.; Woo, S.V., Photodetachment of O₃-, Bull. Am. Phys. Soc., 1971, 16, 213. [all data]

Dotan, Davidson, et al., 1977
Dotan, I.; Davidson, J.A.; Streit, G.E.; Albritton, D.L.; Fehsenfeld, F.C., A study of the reaction O₃^- + CO₂ = CO₃^- + O₂ and its implication on the thermochemistry of CO₃ and O₃ and their negative ions, J. Chem. Phys., 1977, 67, 2874. [all data]

Berkowitz, Chupka, et al., 1971
Berkowitz, J.; Chupka, W.A.; Gutman, D., Electron Affinities of O₂, O₃, NO, NO₂, and NO₃ by Endothermic Charge Transfer, J. Chem. Phys., 1971, 55, 6, 2733, https://doi.org/10.1063/1.1676488 . [all data]

Katsumata, Shiromaru, et al., 1984
Katsumata, S.; Shiromaru, H.; Kimura, T., Photoelectron angular distribution and assignment of photoelectron spectrum of ozone, Bull. Chem. Soc. Jpn., 1984, 57, 1784. [all data]

Weiss, Berkowitz, et al., 1977
Weiss, M.J.; Berkowitz, J.; Appelman, E.H., Photoionization of ozone: Formation of O₄⁺ and O₅⁺, J. Chem. Phys., 1977, 66, 2049. [all data]

Frost, Lee, et al., 1974
Frost, D.C.; Lee, S.T.; McDowell, C.A., High resolution photoelectron spectroscopy of ozone, Chem. Phys. Lett., 1974, 24, 149. [all data]

Dyke, Golob, et al., 1974
Dyke, J.M.; Golob, L.; Jonathan, N.; Morris, A.; Okuda, M., Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 4. Difluoromethylene and ozone, J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1828. [all data]

Brundle, 1974
Brundle, C.R., He (I) and He (II) photoelectron spectra of ozone, Chem. Phys. Lett., 1974, 26, 25. [all data]

Cook, 1968
Cook, G.R., Photoionization and absorption cross sections of ozone, Trans. Am. Geophys. Union, 1968, 49, 736. [all data]

Radwan and Turner, 1966
Radwan, T.N.; Turner, D.W., Molecular photoelectron spectroscopy. Part V. Ozone, J. Chem. Soc. A, 1966, 85. [all data]

Curran, 1961
Curran, R.K., Negative ion formation in ozone, J. Chem. Phys., 1961, 35, 1849. [all data]

Herron and Schiff, 1956
Herron, J.T.; Schiff, H.I., Mass spectrometry of ozone, J. Chem. Phys., 1956, 24, 1266. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  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
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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