Rutile (TiO2)


Condensed phase thermochemistry data

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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
Δfsolid-225.6 ± 0.2kcal/molReviewCox, Wagman, et al., 1984 rutile phase; CODATA Review value
Δfsolid-224.36kcal/molReviewChase, 1998rutile phase; Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
solid,1 bar12.10 ± 0.072cal/mol*KReviewCox, Wagman, et al., 1984 rutile phase; CODATA Review value

Solid 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 2000.
A 16.08468
B 4.471654
C -2.767448
D 0.585459
E -0.355036
F -230.5244
G 28.16993
H -224.3599
ReferenceChase, 1998
Comment rutile phase; Data last reviewed in December, 1973

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

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

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