Carbon Tetrachloride

• Formula: CCl₄
• Molecular weight: 153.823
• IUPAC Standard InChI: InChI=1S/CCl4/c2-1(3,4)5 Copy

  
• IUPAC Standard InChIKey: VZGDMQKNWNREIO-UHFFFAOYSA-N Copy
• CAS Registry Number: 56-23-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Methane, tetrachloro-; Benzinoform; Carbon chloride (CCl4); Carbona; Fasciolin; Flukoids; Freon 10; Necatorina; Perchloromethane; Tetrachlorocarbon; Tetrachloromethane; Tetrafinol; Tetraform; Tetrasol; Univerm; Vermoestricid; CCl4; Benzenoform; Carbon tet; Methane tetrachloride; Czterochlorek wegla; ENT 4,705; Halon 1040; Necatorine; R 10; Tetrachloorkoolstof; Tetrachloormetaan; Tetrachlorkohlenstoff, tetra; Tetrachlormethan; Tetrachlorure de carbone; Tetraclorometano; Tetracloruro di carbonio; Chlorid uhlicity; ENT 27164; Rcra waste number U211; UN 1846; Katharin; Seretin; Thawpit; NSC 97063; R 10 (Refrigerant)
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • Gas Chromatography
• Data at other public NIST sites:
  • Computational Chemistry Comparison and Benchmark Database
  • 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.

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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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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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

 +  = ( • )

By formula: Cl^- + CCl₄ = (Cl^- • CCl₄)

C₈H₆MoO₃ (solution) +  (solution) =  (solution) +  (solution)

By formula: C₈H₆MoO₃ (solution) + CCl₄ (solution) = C₈H₅ClMoO₃ (solution) + CHCl₃ (solution)

 +  = 2

By formula: CO₂ + CCl₄ = 2CCl₂O

CCl₅^- + 2 = C₂Cl₉^-

By formula: CCl₅^- + 2CCl₄ = C₂Cl₉^-

 +  =  + 

By formula: CHCl₃ + Cl₂ = CCl₄ + HCl

 +  =  + 

By formula: CCl₄ + Br₂ = BrCl + CBrCl₃

C₁₀H₁₂Mo (cr) + 2 (l) = C₁₀H₁₀Cl₂Mo (cr) + 2 (l)

By formula: C₁₀H₁₂Mo (cr) + 2CCl₄ (l) = C₁₀H₁₀Cl₂Mo (cr) + 2CHCl₃ (l)

C₁₀H₁₂W (cr) + 2 (l) = C₁₀H₁₀Cl₂W (cr) + 2 (l)

By formula: C₁₀H₁₂W (cr) + 2CCl₄ (l) = C₁₀H₁₀Cl₂W (cr) + 2CHCl₃ (l)

2 =  + 

By formula: 2CCl₂O = CO₂ + CCl₄

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 evaluated as indicated in comments:
L - Sharon G. Lias

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
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Ion clustering 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CCl₅^- + 2 = C₂Cl₉^-

By formula: CCl₅^- + 2CCl₄ = C₂Cl₉^-

 +  = ( • )

By formula: Cl^- + CCl₄ = (Cl^- • CCl₄)

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution
• GAS (ABOUT 100 mmHg DILUTED WITH NITROGEN); DOW KBr FOREPRISM; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution
• LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution
• SOLUTION (1% CS2); BECKMAN IR-9 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

• gas; IFS66V (Bruker); 3-Term B-H Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Boxcar Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Happ Genzel Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); NB Strong Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Triangular Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Hiraoka, Mizuno, et al., 2001
Hiraoka, K.; Mizuno, T.; Iino, T.; Eguchi, D.; Yamabe, S., Characteristic changes of bond energies for gas-phase cluster ions of halide ions with methane and chloromethanes, J. Phys. Chem. A, 2001, 105, 20, 4887-4893, https://doi.org/10.1021/jp010143n . [all data]

Dougherty, Dalton, et al., 1974
Dougherty, R.C.; Dalton, J.; Roberts, J.D., SN₂ reactions in the gas phase: Structure of the transition state, Org. Mass Spectrom., 1974, 8, 77. [all data]

Nolan, López de la Vega, et al., 1986
Nolan, S.P.; López de la Vega, R.; Hoff, C.D., J. Organometal. Chem., 1986, 315, 187. [all data]

Nolan, López de la Vega, et al., 1986, 2
Nolan, S.P.; López de la Vega, R.; Hoff, C.D., Organometallics, 1986, 5, 2529. [all data]

Lord and Pritchard, 1969
Lord, A.; Pritchard, H.O., Thermodynamics of the reaction between carbon dioxide and carbon tetrachloride, J. Chem. Thermodyn., 1969, 1, 495-498. [all data]

Kirkbride, 1956
Kirkbride, F.W., The heats of chlorination of some hydrocarbons and their chloro-derivatives, J. Appl. Chem., 1956, 6, 11-21. [all data]

Mendenhall, Golden, et al., 1973
Mendenhall, G.D.; Golden, D.M.; Benson, S.W., Thermochemistry of the bromination of carbon tetrachloride and the heat of formation of carbon tetrachloride, J. Phys. Chem., 1973, 77, 2707-2709. [all data]

Calado, Dias, et al., 1979
Calado, J.C.G.; Dias, A.R.; Martinho Simões, J.A.; Ribeiro da Silva, M.A.V., J. Organometal. Chem., 1979, 174, 77. [all data]

Staneke, Groothuis, et al., 1995
Staneke, P.O.; Groothuis, G.; Ingemann, S.; Nibbering, N.M.M., Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase, Int. J. Mass Spectrom. Ion Proc., 1995, 142, 1-2, 83, https://doi.org/10.1016/0168-1176(94)04127-S . [all data]

Lacmann, Maneira, et al., 1983
Lacmann, K.; Maneira, M.J.P.; Moutinho, A.M.C.; Weigman, U., Total and Double Differential Cross Sections of Ion- Pair Formations in Collisions of K Atoms with SnCl₄ and CCl₄, J. Chem. Phys., 1983, 78, 1767. [all data]

Dispert and Lacmann, 1978
Dispert, H.; Lacmann, K., Negative ion formation in collisions between potassium and fluoro- and chloromethanes: Electron affinities and bond dissociation energies, Int. J. Mass Spectrom. Ion Phys., 1978, 28, 49. [all data]

Gaines, Kay, et al., 1966
Gaines, A.F.; Kay, J.; Page, F.M., Determination of Electron Affinities. Part 8. - CCl₄, CHCl₃, and CH₂Cl₂, Trans. Farad. Soc., 1966, 62, 874, https://doi.org/10.1039/tf9666200874 . [all data]

Kime, Driscoll, et al., 1987
Kime, Y.J.; Driscoll, D.C.; Dowben, P.A., The stability of the carbon tetrahalide ions, J. Chem. Soc. Faraday Trans. 2, 1987, 83, 403. [all data]

Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G., 30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I), J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [all data]

Bassett and Lloyd, 1971
Bassett, P.J.; Lloyd, D.R., Photoelectron spectra of halides. Part I. Tetrafluorides and tetrachlorides of group IVB, J. Chem. Soc., 1971, (A), 641. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Baker and Tate, 1938
Baker, R.F.; Tate, J.T., Ionization and dissociation by electron impact in CCl₂F₂ and in CCl₄ vapor, Phys. Rev., 1938, 53, 683. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Dixon, Murrell, et al., 1971
Dixon, R.N.; Murrell, J.N.; Narayan, B., The photoelectron spectra of the halomethanes, Mol. Phys., 1971, 20, 611. [all data]

Burton, Chan, et al., 1994
Burton, G.R.; Chan, W.F.; Cooper, G.; Brion, C.E., Valence- and inner-shell (Cl 2p, 2s; C1s) photoabsorption and photoionization of carbon tetrachloride. Absolute oscillator strengths (5-400 eV) and dipole-induced breakdown pathways, Chem. Phys., 1994, 181, 147. [all data]

Reed and Snedden, 1958
Reed, R.I.; Snedden, W., Studies in electron impact methods. Part 2. The latent heat of sublimation of carbon, J. Chem. Soc. Faraday Trans., 1958, 54, 301. [all data]

Blanchard and LeGoff, 1957
Blanchard, L.P.; LeGoff, P., Mass spectrometric study of the species CS, SO, and CCl₂ produced in primary heterogeneous reactions, Can. J. Chem., 1957, 35, 89. [all data]

Shapiro and Lossing, 1968
Shapiro, J.S.; Lossing, F.P., Free radicals by mass spectrometry. XXXVII. The ionization potential and heat of formation of dichlorocarbene, J. Phys. Chem., 1968, 72, 1552. [all data]

Werner, Tsai, et al., 1974
Werner, A.S.; Tsai, B.P.; Baer, T., Photoionization study of the ionization potentials fragmentation paths of the chlorinated methanes carbon tetrabromide, J. Chem. Phys., 1974, 60, 3650. [all data]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLIV. Ionization potentials bond dissociation energies for chloro-and fluoromethyl radicals, Bull. Soc. Chim. Belg., 1972, 81, 125. [all data]

Fox and Curran, 1961
Fox, R.E.; Curran, R.K., Ionization processes in CCl₄ and SF₆ by electron beams, J. Chem. Phys., 1961, 34, 1595. [all data]

Farmer, Henderson, et al., 1956
Farmer, J.B.; Henderson, I.H.S.; Lossing, F.P.; Marsden, D.G.H., Free radicals by mass spectrometry. IX. Ionization potentials of CF₃ and CCl₃ radicals and bond dissociation energies in some derivatives, J. Chem. Phys., 1956, 24, 348. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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