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)
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• 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)
  • References
  • Notes
• Other data available:
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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.

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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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.

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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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:
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)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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 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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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:
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)

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

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
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.