Carbon Tetrachloride
- Formula: CCl4
- Molecular weight: 153.823
- 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
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)
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°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)
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 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 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)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.1 ± 8.4 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrH° | 59.4 ± 2.9 | kJ/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 116. | J/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.1 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrG° | 24.7 ± 3.8 | kJ/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B |
C8H6MoO3 (solution) + (solution) =
(solution) +
(solution)
By formula: C8H6MoO3 (solution) + CCl4 (solution) = C8H5ClMoO3 (solution) + CHCl3 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -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 |
By formula: CO2 + CCl4 = 2CCl2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70. ± 2. | kJ/mol | Eqk | Lord and Pritchard, 1969 | gas phase; Two values for Hf; ALS |
ΔrH° | 70. ± 2. | kJ/mol | Eqk | Lord and Pritchard, 1969 | gas phase; Two values for Hf; ALS |
By formula: CCl5- + 2CCl4 = C2Cl9-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.9 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.7 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: CHCl3 + Cl2 = CCl4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -93.30 | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; Heat of chlorination; ALS |
By formula: CCl4 + Br2 = BrCl + CBrCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 1. | kJ/mol | Eqk | Mendenhall, Golden, et al., 1973 | gas phase; ALS |
C10H12Mo (cr) + 2 (l) = C10H10Cl2Mo (cr) + 2
(l)
By formula: C10H12Mo (cr) + 2CCl4 (l) = C10H10Cl2Mo (cr) + 2CHCl3 (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -321.3 ± 4.4 | kJ/mol | RSC | Calado, Dias, et al., 1979 | MS |
C10H12W (cr) + 2 (l) = C10H10Cl2W (cr) + 2
(l)
By formula: C10H12W (cr) + 2CCl4 (l) = C10H10Cl2W (cr) + 2CHCl3 (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -301.1 ± 3.4 | kJ/mol | RSC | Calado, Dias, et al., 1979 | MS |
By formula: 2CCl2O = CO2 + CCl4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -70. ± 2. | kJ/mol | Eqk | Lord and Pritchard, 1969 | gas phase; ALS |
Henry's Law 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/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(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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: 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 | 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
VS | Very strong |
W | Weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
C | 3~6 cm-1 uncertainty |
E | 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
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]
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(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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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