Ozone
- Formula: O3
- Molecular weight: 47.9982
- IUPAC Standard InChIKey: CBENFWSGALASAD-UHFFFAOYSA-N
- CAS Registry Number: 10028-15-6
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 34.099 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1961 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 57.103 | cal/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 (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. to 1200. | 1200. to 6000. |
---|---|---|
A | 5.177240 | 13.81790 |
B | 19.08700 | 0.174699 |
C | -15.78060 | -0.009382 |
D | 4.680600 | 0.000624 |
E | -0.018942 | -0.850948 |
F | 31.77359 | 27.67010 |
G | 58.23150 | 70.40170 |
H | 34.09990 | 34.09990 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1961 | Data last reviewed in June, 1961 |
Gas phase ion energetics data
Go To: Top, Gas phase 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 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 ± 0.08 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 149.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 142.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.1030 ± 0.0040 | LPES | Arnold, Xu, et al., 1994 | B |
2.1028 ± 0.0026 | LPES | Novich, Engelking, et al., 1979 | B |
2.14 ± 0.15 | NBIE | Rothe, Tang, et al., 1975 | B |
1.91 ± 0.14 | PD | Wong, Vorburger, et al., 1971 | B |
>1.82338 | IMRB | Dotan, Davidson, et al., 1977 | B |
>1.96002 | Endo | Berkowitz, Chupka, et al., 1971 | I- + O3 ->.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.43 | PE | Katsumata, Shiromaru, et al., 1984 | LBLHLM |
12.519 ± 0.004 | PI | Weiss, Berkowitz, et al., 1977 | LLK |
12.5 ± 0.1 | PE | Frost, Lee, et al., 1974 | LLK |
12.44 ± 0.01 | PE | Dyke, Golob, et al., 1974 | LLK |
12.56 | PE | Brundle, 1974 | LLK |
12.67 | PI | Cook, 1968 | RDSH |
12.3 ± 0.1 | PE | Radwan and Turner, 1966 | RDSH |
12.89 ± 0.10 | EI | Curran, 1961 | RDSH |
12.80 ± 0.05 | EI | Herron and Schiff, 1956 | RDSH |
12.73 | PE | Katsumata, Shiromaru, et al., 1984 | Vertical value; LBLHLM |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
O+ | 15.2 ± 0.1 | O2 | PI | Weiss, Berkowitz, et al., 1977 | LLK |
O2+ | 13.125 ± 0.004 | O | PI | Weiss, Berkowitz, et al., 1977 | LLK |
Ion clustering data
Go To: Top, Gas phase thermochemistry 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: 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° | 13.8 | kcal/mol | FA | Fehsenfeld, 1974 | gas phase; switching reaction(NO+)CO2, ΔrH< |
By formula: Na+ + O3 = (Na+ • O3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | FA | Rowe, Viggiano, et al., 1982 | gas phase |