zirconium oxide
- Formula: OZr
- Molecular weight: 107.223
- IUPAC Standard InChI: InChI=1S/O.Zr
- IUPAC Standard InChIKey: GEIAQOFPUVMAGM-UHFFFAOYSA-N
- CAS Registry Number: 12036-01-0
- 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. - Other names: Zirconium monoxide
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Gas phase thermochemistry data
Go To: Top, 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 14.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1965 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 54.402 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1965 |
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 1000. | 1000. to 2000. | 2000. to 4000. | 4000. to 6000. |
|---|---|---|---|---|
| A | 6.697921 | -31.35062 | 39.11496 | 0.542675 |
| B | 4.242998 | 56.06501 | -17.37655 | 3.060278 |
| C | -4.279398 | -24.87930 | 3.824475 | -0.281919 |
| D | 3.319193 | 3.705474 | -0.288497 | 0.007719 |
| E | -0.026824 | 6.445459 | -19.28447 | 37.86257 |
| F | 11.75543 | 37.13384 | -30.34775 | 43.37859 |
| G | 61.25382 | 22.83745 | 70.90392 | 70.94670 |
| H | 14.00000 | 14.00000 | 14.00000 | 14.00000 |
| Reference | Chase, 1998 | Chase, 1998 | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1965 | Data last reviewed in December, 1965 | Data last reviewed in December, 1965 | Data last reviewed in December, 1965 |
Gas phase ion energetics data
Go To: Top, Gas phase 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 5.8 ± 0.2 | EI | Murad and Hildenbrand, 1975 | LLK |
| 6.2 ± 0.1 | EI | Rauh and Ackermann, 1974 | LLK |
| 6.6 ± 0.3 | EI | Gingerich, 1968 | RDSH |
| 5.5 | EI | Chupka, Berkowitz, et al., 1957 | RDSH |
References
Go To: Top, Gas phase thermochemistry 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Murad and Hildenbrand, 1975
Murad, E.; Hildenbrand, D.L.,
Thermochemical properties of gaseous ZrO and ZrO2,
J. Chem. Phys., 1975, 63, 1133. [all data]
Rauh and Ackermann, 1974
Rauh, E.G.; Ackermann, R.J.,
First ionization potentials of some refractory oxide vapors,
J. Chem. Phys., 1974, 60, 1396. [all data]
Gingerich, 1968
Gingerich, K.A.,
Gaseous metal nitrides. II. The dissociation energy, heat of sublimation, and heat of formation of zirconium mononitride,
J. Chem. Phys., 1968, 49, 14. [all data]
Chupka, Berkowitz, et al., 1957
Chupka, W.A.; Berkowitz, J.; Inghram, M.G.,
Thermodynamics of the Zr-ZrO, system: the dissociation energies of ZrO and ZrO2,
J. Chem. Phys., 1957, 26, 1207. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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