Tetrabutyl titanate
- Formula: C16H36O4Ti
- Molecular weight: 340.322
- IUPAC Standard InChI: InChI=1S/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4
- IUPAC Standard InChIKey: YHWCPXVTRSHPNY-UHFFFAOYSA-N
- CAS Registry Number: 5593-70-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Titanium(IV) butoxide; Tetrabutyl orthotitanate; tetra-n-Butyl orthotitanate; Titanium(IV) n-Butoxide; 1-Butanol, titanium(4+) salt; Butyl alcohol, titanium(4+) salt; Butyl orthotitanate; Butyl titanate(IV); Butyl titanate(IV) ((BuO)4Ti); Tetrabutoxytitanium; Titanic acid, tetrabutyl ester; Titanium butoxide (Ti(OBu)4); Titanium tetrabutoxide; Titanium tetrabutylate; Titanium, tetrabutoxy-; Tyzor BP; Tyzor TBT; Butyl titanate; 1-Butanol, titanium(4+) salt (4:1); Titanium n-butoxide; Titanium tetrakis(butoxide); Titanium(4+) butoxide; titanium tetrabutanolate
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Condensed phase thermochemistry data
Go To: Top, Mass spectrum (electron ionization), References, Notes
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:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -392.7 ± 3.9 | kcal/mol | Review | Martinho Simões | MS |
| ΔfH°liquid | -398.73 ± 0.88 | kcal/mol | Review | Martinho Simões | The enthalpy of formation relies on -349.24 ± 0.74 kcal/mol for the enthalpy of formation of Ti(OEt)4(l).; MS |
| ΔfH°liquid | -399.5 ± 1.2 | kcal/mol | Review | Martinho Simões | The enthalpy of formation relies on -349.24 ± 0.74 kcal/mol for the enthalpy of formation of Ti(OEt)4(l) and also on the reaction enthalpy Ti(NEt2)4(l) + 4EtOH(l) = Ti(OEt)4(l) + 4Et2NH(l), -66.61 ± 0.50 kcal/mol Bradley and Hillyer, 1966 Pedley and Rylance, 1977.; MS |
| ΔfH°liquid | -399.14 ± 0.74 | kcal/mol | Review | Martinho Simões | Selected data. Average of the RSC results Bradley and Hillyer, 1966.; MS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2567.4 ± 3.9 | kcal/mol | CC-SB | Genchel, Volkova, et al., 1973 | Please also see Pedley and Rylance, 1977.; MS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 170. | 353. | Samsonov, Grinberg, et al., 1979 | T = 333 to 453 K.; DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, References, Notes
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 | Japan AIST/NIMC Database- Spectrum MS-NW- 415 |
| NIST MS number | 228827 |
References
Go To: Top, Condensed phase 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]
Bradley and Hillyer, 1966
Bradley, D.C.; Hillyer, M.J.,
Thermochemistry of metal alkoxides. Part 2.?Heats of formation of some titanium alkoxides,
Trans. Faraday Soc., 1966, 62, 2374, https://doi.org/10.1039/tf9666202374
. [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]
Genchel, Volkova, et al., 1973
Genchel, V.G.; Volkova, E.A.; Aizatullova, R.M.; Shaulov, Yu.Kh.,
Zh. Fiz. Khim., 1973, 47, 1133. [all data]
Samsonov, Grinberg, et al., 1979
Samsonov, D.P.; Grinberg, E.E.; Efremov, A.A.,
Determination of the dissociation energy of the tetrabutoxytitanium dimer,
Zhur. Prikl. Khim., 1979, 52, 1909-1911. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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