Titanium tetrachloride

• Formula: Cl₄Ti
• Molecular weight: 189.679
• IUPAC Standard InChI: InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4 Copy

  
• IUPAC Standard InChIKey: XJDNKRIXUMDJCW-UHFFFAOYSA-J Copy
• 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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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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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.

Liquid Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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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

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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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)

4 (l) +  (l) =  (l) + 4 (g)

By formula: 4C₂H₆O (l) + Cl₄Ti (l) = C₈H₂₀O₄Ti (l) + 4HCl (g)

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

Ionization energy determinations

Appearance energy determinations

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

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:   T_d     Symmetry Number σ = 12

Source: Shimanouchi, 1972

Notes

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), 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]

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]

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

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• 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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