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) |
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.; AC |
ΔsubH° | 79.5 ± 8.4 | kJ/mol | CC-SB | Tel'noi and Rabinovich, 1977, 2 | 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 |
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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Additional Data
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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 |
References
Go To: Top, Gas 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]
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
Tel'noi, V.I.; Rabinovich, I.B.,
Thermochemistry of organic compounds of transition metals,
Usp. Khim., 1977, 46, 8, 1337. [all data]
Tel'noi and Rabinovich, 1977, 2
Tel'noi, V.I.; Rabinovich, I.B.,
Russ. Chem. Rev., 1977, 46, 689. [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
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas 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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