Ti(Cp)2(OOCCF3)2


Gas 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.

Data compiled by: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Δfgas-512.6 ± 2.8kcal/molReviewMartinho SimõesThe enthalpy of formation relies on -91.7 ± 1.8 kcal/mol for the enthalpy of formation of Ti(Cp)2(Cl)2(cr)

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.

Data compiled by: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Δfsolid-538.4 ± 2.1kcal/molReviewMartinho SimõesThe enthalpy of formation relies on -91.7 ± 1.8 kcal/mol for the enthalpy of formation of Ti(Cp)2(Cl)2(cr)

Phase change 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.

Data compiled by: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Δsub26. ± 2.kcal/molRSCCalado, Dias, et al., 1981 

Reaction 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.

Data compiled by: José A. Martinho Simões

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Individual Reactions

C14H10F6O4Ti (cr) + 2(Hydrogen chloride • 4.40Water) (solution) = Titanocene dichloride (cr) + 2Trifluoroacetic acid (l)

By formula: C14H10F6O4Ti (cr) + 2(HCl • 4.40H2O) (solution) = C10H10Cl2Ti (cr) + 2C2HF3O2 (l)

Quantity Value Units Method Reference Comment
Δr9.03 ± 0.55kcal/molRSCCalado, Dias, et al., 1981Please also see Calhorda, Carrondo, et al., 1986.

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.

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Calado, Dias, et al., 1981
Calado, J.C.G.; Dias, A.R.; Salema, M.S.; Martinho Simões, J.A., J. Chem. Soc., Dalton Trans., 1981, 1174.. [all data]

Calhorda, Carrondo, et al., 1986
Calhorda, M.J.; Carrondo, M.A.A.F.C.T.; Dias, A.R.; Domingos, A.M.T.S.; Martinho Simões, J.A.; Teixeira, C., Organometallics, 1986, 5, 660. [all data]


Notes

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