Titanium dioxide (anatase)
- Formula: O2Ti
- Molecular weight: 79.866
- IUPAC Standard InChI: InChI=1S/2O.Ti
- IUPAC Standard InChIKey: GWEVSGVZZGPLCZ-UHFFFAOYSA-N
- CAS Registry Number: 13463-67-7
- 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: Titanium dioxide (rutile); titanium dioxide
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Gas Phase Heat Capacity (Shomate Equation)
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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) | 4000. - 6000. |
|---|---|
| A | 15.25530 |
| B | -1.055970 |
| C | 0.258295 |
| D | -0.014057 |
| E | -1.246711 |
| F | -80.32359 |
| G | 77.20110 |
| H | -73.00010 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1973 |
| Temperature (K) |
Cp (cal/mol*K) |
S° (cal/mol*K) |
-(G° - H°298.15)/T (cal/mol*K) |
H° - H°298.15 (kcal/mol) |
|---|---|---|---|---|
| 4000. | 14.19 | 95.93 | 83.39 | 50.17 |
| 4100. | 14.22 | 96.28 | 83.70 | 51.59 |
| 4200. | 14.26 | 96.63 | 84.00 | 53.02 |
| 4300. | 14.31 | 96.96 | 84.30 | 54.45 |
| 4400. | 14.35 | 97.29 | 84.59 | 55.88 |
| 4500. | 14.39 | 97.61 | 84.88 | 57.32 |
| 4600. | 14.44 | 97.93 | 85.16 | 58.76 |
| 4700. | 14.48 | 98.24 | 85.43 | 60.20 |
| 4800. | 14.53 | 98.55 | 85.70 | 61.65 |
| 4900. | 14.58 | 98.85 | 85.97 | 63.11 |
| 5000. | 14.63 | 99.14 | 86.23 | 64.57 |
| 5100. | 14.68 | 99.43 | 86.48 | 66.03 |
| 5200. | 14.73 | 99.72 | 86.74 | 67.50 |
| 5300. | 14.78 | 100.0 | 86.98 | 68.98 |
| 5400. | 14.83 | 100.3 | 87.23 | 70.46 |
| 5500. | 14.88 | 100.5 | 87.47 | 71.94 |
| 5600. | 14.93 | 100.8 | 87.70 | 73.44 |
| 5700. | 14.99 | 101.1 | 87.93 | 74.93 |
| 5800. | 15.04 | 101.3 | 88.16 | 76.43 |
| 5900. | 15.09 | 101.6 | 88.39 | 77.94 |
| 6000. | 15.15 | 101.9 | 88.61 | 79.45 |
References
Go To: Top, Gas Phase Heat Capacity (Shomate Equation), 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]
Notes
Go To: Top, Gas Phase Heat Capacity (Shomate Equation), References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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