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. |
Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Symmetry: Td Symmetry Number σ = 12
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 389 | B | 388 ia | gas | 389 | gas | Estimated from combination bands | |
e | 2 | Deg deform | 114 | B | 119 ia | gas | 114 | gas | Estimated from combination bands | |
f2 | 3 | Deg str | 498 | C | 498.5 | gas | 498 | gas | ||
f2 | 4 | Deg deform | 136 | C | 136 | gas | 136 | gas | ||
Source: Shimanouchi, 1972
Notes
ia | Inactive |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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