Carbon Tetrachloride

Formula: CCl₄
Molecular weight: 153.823
IUPAC Standard InChI: InChI=1S/CCl4/c2-1(3,4)5
IUPAC Standard InChIKey: VZGDMQKNWNREIO-UHFFFAOYSA-N
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
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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)
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Gas phase thermochemistry data

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

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-100. ± 20.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	309.65	J/mol*K	Review	Chase, 1998	Data last reviewed in December, 1968

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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Temperature (K)	298. to 6000.
A	103.1134
B	4.188644
C	-1.126475
D	0.095677
E	-1.919624
F	-133.3357
G	422.4334
H	-95.98096
Reference	Chase, 1998
Comment	Data last reviewed in December, 1968

Reaction thermochemistry data

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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

+ Carbon Tetrachloride = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.1 ± 8.4	kJ/mol	TDAs	Hiraoka, Mizuno, et al., 2001	gas phase; B
Δ_rH°	59.4 ± 2.9	kJ/mol	TDAs	Dougherty, Dalton, et al., 1974	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	116.	J/mol*K	HPMS	Dougherty, Dalton, et al., 1974	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	21.1	kJ/mol	TDAs	Hiraoka, Mizuno, et al., 2001	gas phase; B
Δ_rG°	24.7 ± 3.8	kJ/mol	TDAs	Dougherty, Dalton, et al., 1974	gas phase; B

C₈H₆MoO₃ (solution) + Carbon Tetrachloride (solution) = (solution) + (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-133.1 ± 3.8	kJ/mol	RSC	Nolan, López de la Vega, et al., 1986	solvent: Tetrahydrofuran; The enthalpy of solution of Mo(Cp)(CO)3(H)(cr) was measured as 8.8 ± 0.4 kJ/mol Nolan, López de la Vega, et al., 1986, 2. Reaction temperature: 323 K; MS

+ Carbon Tetrachloride = 2

By formula: CO₂ + CCl₄ = 2CCl₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	70. ± 2.	kJ/mol	Eqk	Lord and Pritchard, 1969	gas phase; Two values for Hf; ALS
Δ_rH°	70. ± 2.	kJ/mol	Eqk	Lord and Pritchard, 1969	gas phase; Two values for Hf; ALS

CCl₅^- + 2 Carbon Tetrachloride = C₂Cl₉^-

By formula: CCl₅^- + 2CCl₄ = C₂Cl₉^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.9	kJ/mol	N/A	Hiraoka, Mizuno, et al., 2001	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12.7	kJ/mol	TDAs	Hiraoka, Mizuno, et al., 2001	gas phase; B

+ = Carbon Tetrachloride +

By formula: CHCl₃ + Cl₂ = CCl₄ + HCl

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-93.30	kJ/mol	Cm	Kirkbride, 1956	liquid phase; Heat of chlorination; ALS

Carbon Tetrachloride + = +

By formula: CCl₄ + Br₂ = BrCl + CBrCl₃

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	37. ± 1.	kJ/mol	Eqk	Mendenhall, Golden, et al., 1973	gas phase; ALS

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-321.3 ± 4.4	kJ/mol	RSC	Calado, Dias, et al., 1979	MS

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-301.1 ± 3.4	kJ/mol	RSC	Calado, Dias, et al., 1979	MS

2 = + Carbon Tetrachloride

By formula: 2CCl₂O = CO₂ + CCl₄

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-70. ± 2.	kJ/mol	Eqk	Lord and Pritchard, 1969	gas phase; ALS

Henry's Law data

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Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

k°_H (mol/(kg*bar))	d(ln(k_H))/d(1/T) (K)	Method	Reference	Comment
0.034	4200.	L	N/A
0.038	4100.	M	N/A
0.034	3600.	M	N/A
0.032	3400.	X	N/A
0.036		M	N/A
0.038	3600.	X	N/A
0.030	4200.	M	N/A
0.031	4200.	X	N/A
0.034		Q	N/A	missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.028	5600.	X	N/A
0.035	4100.	M	N/A
0.033	4000.	X	N/A
0.033	4400.	M	Gossett, 1987
0.033	4300.	X	N/A
0.042	3200.	M	N/A
0.033	1100.	X	N/A
0.036	4400.	X	Leighton and Calo, 1981
0.051		L	N/A
0.033	4700.	X	N/A
0.034		V	N/A
0.047		C	N/A
0.035		V	N/A
0.045		M	Pearson and McConnell, 1975	The same data was also published in missing citation. Value at T = 293. K.
0.038		C	N/A
0.039	4900.	M	N/A

Vibrational and/or electronic energy levels

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Data compiled by: Takehiko Shimanouchi

Symmetry: T_d 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	459	C	ia		458.7 p	liq.
e	2	Deg deform	217	C	ia		217.0 dp	liq.
f₂	3	Deg str	776	E	789 VS	gas	790.4 dp	liq.	FR(ν₁+ν₄)
f₂	3	Deg str	776	E	768 VS	gas	761.7 dp	liq.	FR(ν₁+ν₄)
f₂	4	Deg deform	314	C	309.9 W	liq.	313.5 dp	liq.

Source: Shimanouchi, 1972

Notes

Very strong

Weak

Inactive

Polarized

Depolarized

Fermi resonance with an overtone or a combination tone indicated in the parentheses.

3~6 cm^-1 uncertainty

15~30 cm^-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, Notes

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]

Gossett, 1987
Gossett, J.M., Measurement of Henry's Law Constants for C1 and C2 Chlorinated Hydrocarbons, Environ. Sci. Technol., 1987, 21, 202-208. [all data]

Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M., Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications, J. Chem. Eng. Data, 1981, 26, 382-385. [all data]

Pearson and McConnell, 1975
Pearson, C.R.; McConnell, G., Chlorinated C1 and C2 Hydrocarbons in the Marine Environment, Proc. R. Soc. London, B, 1975, 189, 305-332. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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)
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Carbon Tetrachloride

Data at NIST subscription sites:

Gas phase thermochemistry data

Gas Phase Heat Capacity (Shomate Equation)

Reaction thermochemistry data

Individual Reactions

Henry's Law data

Henry's Law constant (water solution)

Vibrational and/or electronic energy levels

Symmetry: Td Symmetry Number σ = 12

Notes

References

Notes

Symmetry: T_d Symmetry Number σ = 12