Titanocene dichloride
- Formula: C10H10Cl2Ti
- Molecular weight: 248.959
- IUPAC Standard InChIKey: XKLWATAZDMHTSH-UHFFFAOYSA-L
- CAS Registry Number: 1271-19-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Titanium, dichlorobis(η5-2,4-cyclopentadien-1-yl)-; Titanium, dichlorodi-π-cyclopentadienyl-; bis(η5-Cyclopentadienyl)titanium dichloride; Bis(π-cyclopentadienyl)titanium dichloride; Bis(cyclopentadienyl)titanium dichloride; Dichlorobis(π-cyclopentadienyl)titanium; Dichlorobis(cyclopentadienyl)titanium; Dichlorodi-π-cyclopentadienyltitanium; Dichlorodicyclopentadienyltitanium; Dichlorotitanocene; Dicyclopentadienyldichlorotitanium; Dicyclopentadienyltitanium dichloride; Bis(π-cyclopentadienyl)dichlorotitanium; Dichlorobis(η5-cyclopentadienyl)titanium; Dichlorobis(η5-2,4-cyclopentadien-1-yl)titanium; NCI-C04502; Titanium, bis(cyclopentadienyl)dichloride-; Bis(cyclopentadienyl)dichlorotitanium; Dichlorobis(1,3-cyclopentadiene)titanium; NSC 78453; dichlorobis(η-cyclopentadienyl)titanium
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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 | -63.3 ± 1.9 | kcal/mol | Review | Martinho Simões | Selected data. |
ΔfH°gas | -129.6 ± 5.0 | kcal/mol | Review | Martinho Simões | |
ΔfH°gas | -134.8 ± 5.0 | kcal/mol | Review | Martinho Simões |
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 | -91.7 ± 1.8 | kcal/mol | Review | Martinho Simões | Selected data. |
ΔfH°solid | -152.6 ± 5.0 | kcal/mol | Review | Martinho Simões | |
ΔfH°solid | -158.0 ± 5.0 | kcal/mol | Review | Martinho Simões | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1366.0 ± 5.0 | kcal/mol | CC-SB | Dillard and Kiser, 1969 | The combustion conditions and reaction are ill-defined in Dillard and Kiser, 1969. The composition of the hydrochloric acid solution, HCl,74H2O, was assigned on the basis of the auxiliary data used by authors and their literature references. |
ΔcH°solid | -1398.0 ± 5.0 | kcal/mol | CC-SB | Dillard and Kiser, 1969 | The combustion conditions and reaction are ill-defined in Dillard and Kiser, 1969. The composition of the hydrochloric acid solution, HCl,74H2O, was assigned on the basis of the auxiliary data used by authors and their literature references. |
ΔcH°solid | -1427.2 ± 1.8 | kcal/mol | CC-SB | Tel' noi, Rabinovich, et al., 1967 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977. The enthalpy of combustion was quoted from Tel'noi and Rabinovich, 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° | 26. ± 5. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.73 | 475.5 | A | Stephenson and Malanowski, 1987 | Based on data from 418. to 533. K.; AC |
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
C10H10I2Ti (solution) + (solution) = 2C10H10ClITi (solution)
By formula: C10H10I2Ti (solution) + C10H10Cl2Ti (solution) = 2C10H10ClITi (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.81 | kcal/mol | EqS | Bruce and Tyler, 1985 | solvent: Perdeuterated benzene; The reaction enthalpy relies on a single value for the equilibrium constant. It assumes a negligible reaction entropy |
C30H28Fe2Ti (cr) + 2( • 4.40) (solution) = 2 (cr) + (cr)
By formula: C30H28Fe2Ti (cr) + 2(HCl • 4.40H2O) (solution) = 2C10H10Fe (cr) + C10H10Cl2Ti (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -60.6 ± 1.1 | kcal/mol | RSC | Dias, Salema, et al., 1982 | Please also see Calhorda, Dias, et al., 1987. |
C22H20O2Ti (cr) + 2( • 5.55) (solution) = 2 (cr) + (cr)
By formula: C22H20O2Ti (cr) + 2(HCl • 5.55H2O) (solution) = 2C6H6O (cr) + C10H10Cl2Ti (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.4 ± 0.60 | kcal/mol | RSC | Dias, Salema, et al., 1981 | Please also see Calhorda, Carrondo, et al., 1986. |
C14H10Cl6O4Ti (cr) + 2( • 4.40) (solution) = (cr) + 2 (cr)
By formula: C14H10Cl6O4Ti (cr) + 2(HCl • 4.40H2O) (solution) = C10H10Cl2Ti (cr) + 2C2HCl3O2 (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.20 ± 0.62 | kcal/mol | RSC | Dias, Salema, et al., 1984 | Please also see Calhorda, Carrondo, et al., 1986. |
C10H10N6Ti (cr) + 2( • 4.18) (solution) = (cr) + 2 (g)
By formula: C10H10N6Ti (cr) + 2(HCl • 4.18H2O) (solution) = C10H10Cl2Ti (cr) + 2HN3 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.1 ± 1.4 | kcal/mol | RSC | Calhorda, Gomes da Costa, et al., 1982 | Please also see Dias, Dias, et al., 1987. |
C14H10F6O4Ti (cr) + 2( • 4.40) (solution) = (cr) + 2 (l)
By formula: C14H10F6O4Ti (cr) + 2(HCl • 4.40H2O) (solution) = C10H10Cl2Ti (cr) + 2C2HF3O2 (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.03 ± 0.55 | kcal/mol | RSC | Calado, Dias, et al., 1981 | Please also see Calhorda, Carrondo, et al., 1986. |
(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° | -45.9 ± 1.4 | kcal/mol | RSC | Calhorda, Dias, et al., 1987 |
C11H13ClTi (cr) + ( • 4.40) (solution) = (cr) + (g)
By formula: C11H13ClTi (cr) + (HCl • 4.40H2O) (solution) = C10H10Cl2Ti (cr) + CH4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -16.5 ± 0.74 | kcal/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]
Dillard and Kiser, 1969
Dillard, J.G.; Kiser, R.W.,
The formation of gaseous ions from dicyclopentadienyltitanium dichloride and dicyclopentadienylzirconium dichloride upon electron impact,
J. Organometal. Chem., 1969, 16, 265. [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]
Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B.,
Russ. Chem. Rev., 1977, 46, 689. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Bruce and Tyler, 1985
Bruce, M.R.M.; Tyler, D.R.,
Organometallics, 1985, 4, 528. [all data]
Dias, Salema, et al., 1982
Dias, A.R.; Salema, M.S.; Martinho Simões, J.A.,
Organometallics, 1982, 1, 971. [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]
Dias, Salema, et al., 1981
Dias, A.R.; Salema, M.S.; Martinho Simões, J.A.,
J. Organometal. Chem., 1981, 222, 69. [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]
Dias, Salema, et al., 1984
Dias, A.R.; Salema, M.S.; Martinho Simões, J.A.,
Rev. Port. Quím., 1984, 26, 227. [all data]
Calhorda, Gomes da Costa, et al., 1982
Calhorda, M.J.; Gomes da Costa, R.; Dias, A.R.; Martinho Simões, J.A.,
J. Chem. Soc., Dalton Trans., 1982, 2327.. [all data]
Dias, Dias, et al., 1987
Dias, A.R.; Dias, P.B.; Diogo, H.P.; Galvão, A.M.; Minas da Piedade, M.E.; Martinho Simões, J.A.,
Organometallics, 1987, 6, 1427. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- 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 ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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