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Ozone

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Gas phase thermochemistry data

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

Quantity Value Units Method Reference Comment
Deltafgas34.099kcal/molReviewChase, 1998Data last reviewed in June, 1961
Quantity Value Units Method Reference Comment
gas,1 bar57.103cal/mol*KReviewChase, 1998Data last reviewed in June, 1961

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

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Temperature (K) 298. - 1200.1200. - 6000.
A 5.17724013.81790
B 19.087000.174699
C -15.78060-0.009382
D 4.6806000.000624
E -0.018942-0.850948
F 31.7735927.67010
G 58.2315070.40170
H 34.0999034.09990
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1961 Data last reviewed in June, 1961

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

Quantity Value Units Method Reference Comment
Tboil161.3KN/AStreng, 1971Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus80.7KN/AStreng, 1971Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tc261.15KN/AJenkins and Birdsall, 1952Uncertainty assigned by TRC = 1.5 K; by disappearence of meniscus, with some decomposition; TRC
Tc261.05KN/AJenkins and Birdsall, 1952Uncertainty assigned by TRC = 1. K; by disappearance and appearance of meniscus. with some decomposition; TRC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
92.8 - 162.04.23066712.4876.982Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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. 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

Oxygen cation + Ozone = (Oxygen cation bullet Ozone)

By formula: O2+ + O3 = (O2+ bullet O3)

Quantity Value Units Method Reference Comment
Deltar14.5kcal/molFADotan, Davidson, et al., 1978gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970
Quantity Value Units Method Reference Comment
Deltar20.5cal/mol*KN/ADotan, Davidson, et al., 1978gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970
Quantity Value Units Method Reference Comment
Deltar8.4kcal/molFADotan, Davidson, et al., 1978gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970

Nitric oxide anion + Ozone = (Nitric oxide anion bullet Ozone)

By formula: NO- + O3 = (NO- bullet O3)

Quantity Value Units Method Reference Comment
Deltar13.8kcal/molFAFehsenfeld, 1974gas phase; switching reaction(NO+)CO2, «DELTA»rH<

Sodium ion (1+) + Ozone = (Sodium ion (1+) bullet Ozone)

By formula: Na+ + O3 = (Na+ bullet O3)

Quantity Value Units Method Reference Comment
Deltar12.5kcal/molFARowe, Viggiano, et al., 1982gas phase

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
0.0112400.CN/A 
0.00942400.CN/A 
0.0122700.TN/A 
0.00942500.QN/A missing citation refer to several references in their list of Henry's law constants but they don't assign them to specific species.
0.013 N/AN/A 
0.0112300.MN/A 
0.012 CN/A 
0.00882900.XN/A 
0.0132000.LN/A 
0.0132000.MN/A 
0.0122300.XN/AThe value is taken from the compilation of solubilities by W. Asman (unpublished).

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering 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 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

Quantity Value Units Method Reference Comment
IE (evaluated)12.53 ± 0.08eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)149.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity142.4kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
2.1030 ± 0.0040LPESArnold, Xu, et al., 1994B
2.1028 ± 0.0026LPESNovich, Engelking, et al., 1979B
2.14 ± 0.15NBIERothe, Tang, et al., 1975B
1.91 ± 0.14PDWong, Vorburger, et al., 1971B
>1.82338IMRBDotan, Davidson, et al., 1977B
>1.96002EndoBerkowitz, Chupka, et al., 1971I- + O3 ->.; B

Ionization energy determinations

IE (eV) Method Reference Comment
12.43PEKatsumata, Shiromaru, et al., 1984LBLHLM
12.519 ± 0.004PIWeiss, Berkowitz, et al., 1977LLK
12.5 ± 0.1PEFrost, Lee, et al., 1974LLK
12.44 ± 0.01PEDyke, Golob, et al., 1974LLK
12.56PEBrundle, 1974LLK
12.67PICook, 1968RDSH
12.3 ± 0.1PERadwan and Turner, 1966RDSH
12.89 ± 0.10EICurran, 1961RDSH
12.80 ± 0.05EIHerron and Schiff, 1956RDSH
12.73PEKatsumata, Shiromaru, et al., 1984Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
O+15.2 ± 0.1O2PIWeiss, Berkowitz, et al., 1977LLK
O2+13.125 ± 0.004OPIWeiss, Berkowitz, et al., 1977LLK

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

Nitric oxide anion + Ozone = (Nitric oxide anion bullet Ozone)

By formula: NO- + O3 = (NO- bullet O3)

Quantity Value Units Method Reference Comment
Deltar13.8kcal/molFAFehsenfeld, 1974gas phase; switching reaction(NO+)CO2, «DELTA»rH<

Sodium ion (1+) + Ozone = (Sodium ion (1+) bullet Ozone)

By formula: Na+ + O3 = (Na+ bullet O3)

Quantity Value Units Method Reference Comment
Deltar12.5kcal/molFARowe, Viggiano, et al., 1982gas phase

Oxygen cation + Ozone = (Oxygen cation bullet Ozone)

By formula: O2+ + O3 = (O2+ bullet O3)

Quantity Value Units Method Reference Comment
Deltar14.5kcal/molFADotan, Davidson, et al., 1978gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970
Quantity Value Units Method Reference Comment
Deltar20.5cal/mol*KN/ADotan, Davidson, et al., 1978gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970
Quantity Value Units Method Reference Comment
Deltar8.4kcal/molFADotan, Davidson, et al., 1978gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970

IR Spectrum

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, 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: Coblentz Society, Inc.

Gas Phase Spectrum

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IR 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

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 10565
Date 1969/04/03
State GAS (40 PPM)
Instrument BECKMAN IR-9 (GRATING)
Instrument parameters
ABSORPTIONS DUE TO UNKNOWNS AT 2244 AND 2215 CM-1.
ABSORPTION DUE TO CO2 AT 2376 CM-1.
Path length 1000 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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