Titanium tetrachloride
- Formula: Cl4Ti
- Molecular weight: 189.679
- IUPAC Standard InChIKey: XJDNKRIXUMDJCW-UHFFFAOYSA-J
- CAS Registry Number: 7550-45-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: TiCl4; Titanium chloride (TiCl4) (T-4)-; Titanium(IV) chloride; Titanic chloride; Titanium(IV)tetrachloride; Titanium chloride; Tetrachlorure de titane; Titaantetrachloride; Titantetrachlorid; UN 1838; Titanium chloride (TiCl4)
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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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -763.2 ± 3.0 | kJ/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -763.16 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1967 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 353.2 ± 4.0 | J/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 354.84 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1967 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 1000. to 6000. |
---|---|
A | 106.8573 |
B | 1.049482 |
C | -0.284300 |
D | 0.024257 |
E | -1.043516 |
F | -798.5666 |
G | 477.9885 |
H | -763.1616 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1967 |
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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -804.16 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1967 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 221.93 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1967 |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -815.03 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1967 |
Quantity | Value | Units | Method | Reference | Comment |
S°solid | 209.05 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1967 |
Liquid Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1000. |
---|---|
A | 143.0480 |
B | 7.600362 |
C | 1.530575 |
D | -0.538376 |
E | -0.020638 |
F | -847.2307 |
G | 392.5973 |
H | -804.1648 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1967 |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 407.95 | K | N/A | Neff and Hickman, 1955 | Uncertainty assigned by TRC = 1. K; not certain that this was measured; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 248.64 | K | N/A | Neff and Hickman, 1955 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 639.1 | K | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.01 | mol/l | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
37.5 | 265. | N/A | Luchinskii, 1966 | Based on data from 250. to 423. K.; AC |
37.9 | 378. | N/A | Pike and Foster, 1959 | Based on data from 363. to 415. K.; AC |
39.8 | 335. | I | Sch«65533»fer and Zeppernick, 1953 | Based on data from 313. to 357. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
249.93 to 423. | 4.84969 | 1990.235 | 2.0 | Luchinskii, 1966, 2 | Coefficents calculated by NIST from author's data. |
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
4 (l) +
(l) =
(l) + 4(
• 51.3
) (solution)
By formula: 4C2H6O (l) + Cl4Ti (l) = C8H20O4Ti (l) + 4(HCl • 51.3H2O) (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -205.4 ± 4.2 | kJ/mol | RSC | Bradley and Hillyer, 1966 | Please also see Pedley and Rylance, 1977. |
By formula: 4C2H6O (l) + Cl4Ti (l) = C8H20O4Ti (l) + 4HCl (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 81.6 ± 0.4 | kJ/mol | RSC | Bradley and Hillyer, 1966 | Please also see Pedley and Rylance, 1977. |
Gas phase ion energetics 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.88 ± 0.15 | NBIE | Mathur, Rothe, et al., 1979 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.5 | PE | Bancroft, Pellach, et al., 1982 | LBLHLM |
11.65 ± 0.15 | EI | Kiser, Dillard, et al., 1969 | RDSH |
11.69 | PE | Bancroft, Pellach, et al., 1982 | Vertical value; LBLHLM |
11.76 | PE | Egdell and Orchard, 1978 | Vertical value; LLK |
11.70 | PE | Burroughs, Evans, et al., 1974 | Vertical value; LLK |
11.7 | PE | Green, Green, et al., 1970 | Vertical value; RDSH |
11.78 ± 0.04 | PE | Cox, Evans, et al., 1970 | Vertical value; RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
TiCl+ | 20.6 ± 0.3 | ? | EI | Kiser, Dillard, et al., 1969 | RDSH |
TiCl2+ | 16.7 ± 0.3 | ? | EI | Kiser, Dillard, et al., 1969 | RDSH |
TiCl3+ | 13.3 ± 0.3 | Cl | EI | Kiser, Dillard, et al., 1969 | RDSH |
Ti+ | 25.0 ± 0.3 | 4Cl | EI | Kiser, Dillard, et al., 1969 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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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Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Chemical Concepts |
NIST MS number | 157634 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Neff and Hickman, 1955
Neff, J.A.; Hickman, J.B.,
Total Pressure of Certain Binary Liquid Mixtures,
J. Phys. Chem., 1955, 59, 42-5. [all data]
Teja and Anselme, 1990
Teja, A.S.; Anselme, M.J.,
The critical properties of thermally stable and unstable fluids. II. 1986 results,
AIChE Symp. Ser., 1990, 86, 279, 122-7. [all data]
Luchinskii, 1966
Luchinskii, G.P.,
Zh. Fiz. Khim., 1966, 40, 3, 593. [all data]
Pike and Foster, 1959
Pike, F.P.; Foster, C.T.,
Vapor Pressure and Boiling Point of Titanium Tetrachloride.,
J. Chem. Eng. Data, 1959, 4, 4, 305-306, https://doi.org/10.1021/je60004a006
. [all data]
Sch«65533»fer and Zeppernick, 1953
Sch«65533»fer, Harald; Zeppernick, Friedrich,
Die S«65533»ttigungsdrucke «65533»ber fl«65533»ssigem Titan(IV)-chlorid,
Z. Anorg. Allg. Chem., 1953, 272, 5-6, 274-278, https://doi.org/10.1002/zaac.19532720506
. [all data]
Luchinskii, 1966, 2
Luchinskii, G.P.,
Physico-Chemical Study of Titanium Halides. 1. Parameters of Phase Transitions of Titanium Tetrachloride,
Zh. Fiz. Khim., 1966, 40, 593-598. [all data]
Bradley and Hillyer, 1966
Bradley, D.C.; Hillyer, M.J.,
Trans. Faraday Soc., 1966, 62, 2367. [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]
Mathur, Rothe, et al., 1979
Mathur, E.P.; Rothe, E.W.; Reck, G.P.,
Negative ions from the reactions of alkalis with SnCl4, GeCl4, and TiCl4,
Int. J. Mass Spectrom. Ion Phys., 1979, 31, 77. [all data]
Bancroft, Pellach, et al., 1982
Bancroft, G.M.; Pellach, E.; Tse, J.S.,
High resolution HeI and HeII photoelectron spectra of TiCl4, SnCl4, and (CH3)4Sn,
Inorg. Chem., 1982, 21, 2950. [all data]
Kiser, Dillard, et al., 1969
Kiser, R.W.; Dillard, J.G.; Dugger, D.L.,
Mass spectrometry of inorganic halides,
Advan. Chem. Ser., 1969, 72, 153. [all data]
Egdell and Orchard, 1978
Egdell, R.G.; Orchard, A.F.,
Photoelectron spectra of the group IVA halides,
J. Chem. Soc. Faraday Trans. 2, 1978, 74, 485. [all data]
Burroughs, Evans, et al., 1974
Burroughs, P.; Evans, S.; Hamnett, A.; Orchard, A.F.; Richardson, N.V.,
He-I photoelectron spectra of some d (0) transition metal compounds,
J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1895. [all data]
Green, Green, et al., 1970
Green, J.C.; Green, M.L.H.; Joachim, P.J.; Orchard, A.F.; Turner, D.W.,
A study of the bonding in the group IV tetrahalides by photoelectron spectroscopy,
Phil. Trans. Roy. Soc. (London), 1970, A268, III. [all data]
Cox, Evans, et al., 1970
Cox, P.A.; Evans, S.; Hamnett, A.; Orchard, A.F.,
The helium-(I) photoelectron spectrum of vanadium tetrachloride,
Chem. Phys. Lett., 1970, 7, 414. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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