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
  The 3d structure may be viewed using Java or Javascript.
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Ion clustering data
  • IR Spectrum
• 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
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

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

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Phase change data

Go To: Top, Henry's Law 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 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 (bar)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Henry's Law data

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: 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

Go To: Top, Phase change data, Henry's Law data, References, Notes

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

References

Go To: Top, Phase change data, Henry's Law data, Gas phase ion energetics data, Notes

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

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]

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, Phase change data, Henry's Law data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  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

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.