Titanium, bis(η5-2,4-cyclopentadien-1-yl)dimethyl-
- Formula: C12H16Ti
- Molecular weight: 208.122
- IUPAC Standard InChIKey: QWHJQOJNNKDPBE-UHFFFAOYSA-N
- CAS Registry Number: 1271-66-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: bis(cyclopentadienyl)dimethyltitanium
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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 |
---|---|---|---|---|---|
ΔfH°gas | 51. ± 12. | kJ/mol | Review | Martinho Simões | |
ΔfH°gas | 135. ± 12. | kJ/mol | Review | Martinho Simões | |
ΔfH°gas | 53. ± 13. | kJ/mol | Review | Martinho Simões | The 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 |
---|---|---|---|---|---|
ΔfH°solid | -28.3 ± 8.6 | kJ/mol | Review | Martinho Simões | |
ΔfH°solid | 55.4 ± 8.6 | kJ/mol | Review | Martinho Simões | |
ΔfH°solid | -26.8 ± 9.7 | kJ/mol | Review | Martinho Simões | The 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 |
ΔcH°solid | -8008.2 ± 8.4 | kJ/mol | CC-SB | Tel'noi and Rabinovich, 1977 | |
ΔcH°solid | -7924.5 ± 8.4 | kJ/mol | CC-SB | Tel' noi, Rabinovich, et al., 1967 | Please 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 |
---|---|---|---|---|---|
ΔsubH° | 79.5 ± 8.4 | kJ/mol | N/A | Pilcher and Skinner, 1983 | See also Tel'noi and Rabinovich, 1977, 2.; AC |
ΔsubH° | 79.5 ± 8.4 | kJ/mol | CC-SB | Tel'noi and Rabinovich, 1977 | MS |
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
(cr) + 2( • 5.55) (solution) = (cr) + 2 (g)
By formula: C12H16Ti (cr) + 2(HCl • 5.55H2O) (solution) = C10H10Cl2Ti (cr) + 2CH4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -192.0 ± 5.9 | kJ/mol | RSC | Calhorda, Dias, et al., 1987 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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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- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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