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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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, 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°liquid | -213.68 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 17.28 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1973 |
Liquid 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) | 2130. to 4000. |
|---|---|
| A | 24.00000 |
| B | 1.432021×10-8 |
| C | -4.294281×10-9 |
| D | 4.397410×10-10 |
| E | 8.585531×10-9 |
| F | -228.4120 |
| G | 34.80779 |
| H | -213.6840 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1973 |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
- SOLID (0.3 mg / 300 mg CsI DISC); BECKMAN IR-12 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)
4, 4 cm-1 resolution
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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