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Titanium, bis(«eta»5-2,4-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
Deltafgas51. ± 12.kJ/molReviewMartinho Simões 
Deltafgas135. ± 12.kJ/molReviewMartinho Simões 
Deltafgas53. ± 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
Deltafsolid-28.3 ± 8.6kJ/molReviewMartinho Simões 
Deltafsolid55.4 ± 8.6kJ/molReviewMartinho Simões 
Deltafsolid-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
Deltacsolid-8008.2 ± 8.4kJ/molCC-SBTel'noi and Rabinovich, 1977 
Deltacsolid-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
Deltasub79.5 ± 8.4kJ/molN/APilcher and Skinner, 1983See also Tel'noi and Rabinovich, 1977, 2.; AC
Deltasub79.5 ± 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

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

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

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

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 62976

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes

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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