- InChI
- InChI=1S/O.Zr
- InChI Key
- GEIAQOFPUVMAGM-UHFFFAOYSA-N
- Formula
- OZr
- SMILES
- [O]=[Zr]
- Molecular Weight1
- 107.22
- CAS
- 12036-01-0
- Other Names
-
- Zirconium monoxide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- IE : Ionization energy (eV).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | [5.50; 6.60] | eV |
|
| IE | 5.80 ± 0.20 | eV | NIST |
| IE | 6.20 ± 0.10 | eV | NIST |
| IE | 6.60 ± 0.30 | eV | NIST |
| IE | 5.50 | eV | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [30.83; 41.65] | J/mol×K | [298.00; 1000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.80241e+01 | |||
| Coefficient B | 1.77527e+01 | |||
| Coefficient C | -1.79050e+01 | |||
| Coefficient D | 1.38875e+01 | |||
| Coefficient E | -1.12231e-01 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 30.83 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 32.11 | J/mol×K | 376.00 | Calculated Property |
| Cp,gas | 33.15 | J/mol×K | 454.00 | Calculated Property |
| Cp,gas | 34.10 | J/mol×K | 532.00 | Calculated Property |
| Cp,gas | 35.04 | J/mol×K | 610.00 | Calculated Property |
| Cp,gas | 36.05 | J/mol×K | 688.00 | Calculated Property |
| Cp,gas | 37.17 | J/mol×K | 766.00 | Calculated Property |
| Cp,gas | 38.44 | J/mol×K | 844.00 | Calculated Property |
| Cp,gas | 39.92 | J/mol×K | 922.00 | Calculated Property |
| Cp,gas | 41.65 | J/mol×K | 1000.00 | Calculated Property |
| Cp,gas | [41.78; 52.37] | J/mol×K | [1000.00; 2000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.31171e+02 | |||
| Coefficient B | 2.34576e+02 | |||
| Coefficient C | -1.04095e+02 | |||
| Coefficient D | 1.55037e+01 | |||
| Coefficient E | 2.69678e+01 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 1000.00 | |||
| Temperature range, max. | 2000.00 | |||
| Cp,gas | 41.78 | J/mol×K | 1000.00 | Calculated Property |
| Cp,gas | 44.07 | J/mol×K | 1111.11 | Calculated Property |
| Cp,gas | 46.39 | J/mol×K | 1222.22 | Calculated Property |
| Cp,gas | 48.46 | J/mol×K | 1333.33 | Calculated Property |
| Cp,gas | 50.12 | J/mol×K | 1444.44 | Calculated Property |
| Cp,gas | 51.34 | J/mol×K | 1555.56 | Calculated Property |
| Cp,gas | 52.12 | J/mol×K | 1666.67 | Calculated Property |
| Cp,gas | 52.50 | J/mol×K | 1777.78 | Calculated Property |
| Cp,gas | 52.56 | J/mol×K | 1888.89 | Calculated Property |
| Cp,gas | 52.37 | J/mol×K | 2000.00 | Calculated Property |
| Cp,gas | [52.43; 46.57] | J/mol×K | [2000.00; 4000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.63657e+02 | |||
| Coefficient B | -7.27035e+01 | |||
| Coefficient C | 1.60016e+01 | |||
| Coefficient D | -1.20707e+00 | |||
| Coefficient E | -8.06862e+01 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 2000.00 | |||
| Temperature range, max. | 4000.00 | |||
| Cp,gas | 52.43 | J/mol×K | 2000.00 | Calculated Property |
| Cp,gas | 51.53 | J/mol×K | 2222.22 | Calculated Property |
| Cp,gas | 50.42 | J/mol×K | 2444.44 | Calculated Property |
| Cp,gas | 49.33 | J/mol×K | 2666.67 | Calculated Property |
| Cp,gas | 48.40 | J/mol×K | 2888.89 | Calculated Property |
| Cp,gas | 47.66 | J/mol×K | 3111.11 | Calculated Property |
| Cp,gas | 47.14 | J/mol×K | 3333.33 | Calculated Property |
| Cp,gas | 46.81 | J/mol×K | 3555.56 | Calculated Property |
| Cp,gas | 46.64 | J/mol×K | 3777.78 | Calculated Property |
| Cp,gas | 46.57 | J/mol×K | 4000.00 | Calculated Property |
| Cp,gas | [46.58; 48.01] | J/mol×K | [4000.00; 6000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.27055e+00 | |||
| Coefficient B | 1.28042e+01 | |||
| Coefficient C | -1.17955e+00 | |||
| Coefficient D | 3.22950e-02 | |||
| Coefficient E | 1.58417e+02 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 4000.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 46.58 | J/mol×K | 4000.00 | Calculated Property |
| Cp,gas | 46.62 | J/mol×K | 4222.22 | Calculated Property |
| Cp,gas | 46.73 | J/mol×K | 4444.44 | Calculated Property |
| Cp,gas | 46.89 | J/mol×K | 4666.67 | Calculated Property |
| Cp,gas | 47.08 | J/mol×K | 4888.89 | Calculated Property |
| Cp,gas | 47.28 | J/mol×K | 5111.11 | Calculated Property |
| Cp,gas | 47.48 | J/mol×K | 5333.33 | Calculated Property |
| Cp,gas | 47.67 | J/mol×K | 5555.56 | Calculated Property |
| Cp,gas | 47.85 | J/mol×K | 5777.78 | Calculated Property |
| Cp,gas | 48.01 | J/mol×K | 6000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to zirconium oxide.
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- High-temperature calorimetry of zirconia: Heat capacity and thermodynamics of the monoclinic tetragonal phase transition
- Thermochemistry of UO2 - ThO2 and UO2 - ZrO2 fluorite solid solutions
- Thermodynamic investigation of thorium and strontium substituted monazite solid-solution
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.