Ozone
- Formula: O3
- Molecular weight: 47.9982
- IUPAC Standard InChIKey: CBENFWSGALASAD-UHFFFAOYSA-N
- 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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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 142.67 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1961 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 238.92 | J/mol*K | Review | Chase, 1998 | Data 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1200. | 1200. to 6000. |
---|---|---|
A | 21.66157 | 57.81409 |
B | 79.86001 | 0.730941 |
C | -66.02603 | -0.039253 |
D | 19.58363 | 0.002610 |
E | -0.079251 | -3.560367 |
F | 132.9407 | 115.7717 |
G | 243.6406 | 294.5607 |
H | 142.6740 | 142.6740 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1961 | Data last reviewed in June, 1961 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 161.3 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 80.7 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 261.15 | K | N/A | Jenkins and Birdsall, 1952 | Uncertainty assigned by TRC = 1.5 K; by disappearence of meniscus, with some decomposition; TRC |
Tc | 261.05 | K | N/A | Jenkins and Birdsall, 1952 | Uncertainty 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 (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
92.8 to 162.0 | 4.23637 | 712.487 | 6.982 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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: 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)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.7 | kJ/mol | FA | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.8 | J/mol*K | N/A | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 35. | kJ/mol | FA | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
By formula: NO- + O3 = (NO- • O3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.7 | kJ/mol | FA | Fehsenfeld, 1974 | gas phase; switching reaction(NO+)CO2, ΔrH< |
By formula: Na+ + O3 = (Na+ • O3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.3 | kJ/mol | FA | Rowe, Viggiano, et al., 1982 | gas phase |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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: 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)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.7 | kJ/mol | FA | Fehsenfeld, 1974 | gas phase; switching reaction(NO+)CO2, ΔrH< |
By formula: Na+ + O3 = (Na+ • O3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.3 | kJ/mol | FA | Rowe, Viggiano, et al., 1982 | gas phase |
By formula: O2+ + O3 = (O2+ • O3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.7 | kJ/mol | FA | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.8 | J/mol*K | N/A | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 35. | kJ/mol | FA | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point 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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