Titanium, bis(η5-2,4-cyclopentadien-1-yl)dimethyl-


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
Δfgas51. ± 12.kJ/molReviewMartinho Simões 
Δfgas135. ± 12.kJ/molReviewMartinho Simões 
Δfgas53. ± 13.kJ/molReviewMartinho SimõesThe enthalpy of formation relies on -383.6 ± 7.7 kJ/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-28.3 ± 8.6kJ/molReviewMartinho Simões 
Δfsolid55.4 ± 8.6kJ/molReviewMartinho Simões 
Δfsolid-26.8 ± 9.7kJ/molReviewMartinho SimõesThe enthalpy of formation relies on -383.6 ± 7.7 kJ/mol for the enthalpy of formation of Ti(Cp)2(Cl)2(cr)
Quantity Value Units Method Reference Comment
Δcsolid-8008.2 ± 8.4kJ/molCC-SBTel'noi and Rabinovich, 1977 
Δcsolid-7924.5 ± 8.4kJ/molCC-SBTel' noi, Rabinovich, et al., 1967Please also see Pedley and Rylance, 1977.

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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões

Quantity Value Units Method Reference Comment
Δsub79.5 ± 8.4kJ/molN/APilcher and Skinner, 1983See also Tel'noi and Rabinovich, 1977, 2.; AC
Δsub79.5 ± 8.4kJ/molCC-SBTel'noi and Rabinovich, 1977MS

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

Titanium, bis(η5-2,4-cyclopentadien-1-yl)dimethyl- (cr) + 2(Hydrogen chloride • 5.55Water) (solution) = Titanocene dichloride (cr) + 2Methane (g)

By formula: C12H16Ti (cr) + 2(HCl • 5.55H2O) (solution) = C10H10Cl2Ti (cr) + 2CH4 (g)

Quantity Value Units Method Reference Comment
Δr-192.0 ± 5.9kJ/molRSCCalhorda, Dias, et al., 1987 

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]

Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1977, 46, 689. [all data]

Tel' noi, Rabinovich, et al., 1967
Tel' noi, V.I.; Rabinovich, I.B.; Tikhonov, V.D.; Latyaeva, V.N.; Vyshmskaya, L.I.; Razuvaev, G.A., Dokl. Akad. Nauk SSSR, 1967, 174, 1374. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A., Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2 . [all data]

Tel'noi and Rabinovich, 1977, 2
Tel'noi, V.I.; Rabinovich, I.B., Thermochemistry of organic compounds of transition metals, Usp. Khim., 1977, 46, 8, 1337. [all data]

Calhorda, Dias, et al., 1987
Calhorda, M.J.; Dias, A.R.; Minas da Piedade M.E.; Salema, M.S.; Martinho Simões J.A., Organometallics, 1987, 6, 734. [all data]


Notes

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