Carbon tetrabromide

Formula: CBr₄
Molecular weight: 331.627
IUPAC Standard InChI: InChI=1S/CBr4/c2-1(3,4)5
IUPAC Standard InChIKey: HJUGFYREWKUQJT-UHFFFAOYSA-N
CAS Registry Number: 558-13-4
Chemical structure:
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Other names: Methane, tetrabromo-; Carbon bromide (CBr4); Methane tetrabromide; Tetrabromomethane; CBr4; Carbon bromide; Bromid uhlicity; UN 2516; NSC 6179
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Gas phase thermochemistry data

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

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	12.00	kcal/mol	Review	Chase, 1998	Data last reviewed in December, 1963
Δ_fH°_gas	20.1 ± 0.81	kcal/mol	Ccb	Bickerton, Minas Da Piedade, et al., 1984	ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	85.564	cal/mol*K	Review	Chase, 1998	Data last reviewed in December, 1963

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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.

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Temperature (K)	298. to 6000.
A	25.13069
B	0.594556
C	-0.160303
D	0.013637
E	-0.320891
F	3.406480
G	114.0000
H	12.00000
Reference	Chase, 1998
Comment	Data last reviewed in December, 1963

Condensed phase thermochemistry data

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Data compiled as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_solid	7.03 ± 0.81	kcal/mol	Ccb	Bickerton, Minas Da Piedade, et al., 1984	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-101.1 ± 0.79	kcal/mol	Ccb	Bickerton, Minas Da Piedade, et al., 1984	ALS

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
38.79	373.	Kurbatov, 1948	T = 96 to 182°C. Mean Cp, three temperatures.; DH

Constant pressure heat capacity of solid

C_p,solid (cal/mol*K)	Temperature (K)	Reference	Comment
34.87	298.15	Bickerton, Minas Da Piedade, et al., 1984	Cp given as 0.44 J/g*K.; DH
30.750	300.6	Marshall, Staveley, et al., 1956	T = 22 to 84°C.; DH
35.47	298.	Frederick and Hildebrand, 1939	T = 298 to 423 K.; DH

Reaction thermochemistry data

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Data compiled as indicated in comments:
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

C₈H₆MoO₃ (solution) + Carbon tetrabromide (solution) = (solution) + (solution)

By formula: C₈H₆MoO₃ (solution) + CBr₄ (solution) = C₈H₅BrMoO₃ (solution) + CHBr₃ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-34.4 ± 2.0	kcal/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 2.1 ± 0.1 kcal/mol Nolan, López de la Vega, et al., 1986, 2. Reaction temperature: 323 K; MS

+ = + Carbon tetrabromide

By formula: CHBr₃ + Br₂ = HBr + CBr₄

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-1.7 ± 0.7	kcal/mol	Eqk	King, Golden, et al., 1971	gas phase; ALS

C₁₀H₁₂Mo (cr) + 2 Carbon tetrabromide (cr) = C₁₀H₁₀Br₂Mo (cr) + 2 (l)

By formula: C₁₀H₁₂Mo (cr) + 2CBr₄ (cr) = C₁₀H₁₀Br₂Mo (cr) + 2CHBr₃ (l)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-70.9 ± 1.1	kcal/mol	RSC	Calado, Dias, et al., 1980	MS

C₁₀H₁₂W (cr) + 2 Carbon tetrabromide (cr) = C₁₀H₁₀Br₂W (cr) + 2 (l)

By formula: C₁₀H₁₂W (cr) + 2CBr₄ (cr) = C₁₀H₁₀Br₂W (cr) + 2CHBr₃ (l)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-72.30 ± 0.53	kcal/mol	RSC	Calado, Dias, et al., 1980	MS

References

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

Bickerton, Minas Da Piedade, et al., 1984
Bickerton, J.; Minas Da Piedade, M.E.; Pilcher, G., Enthalpy of formation of tetrabromomethane by rotating-bomb calorimetry, J. Chem. Thermodyn., 1984, 16, 661-668. [all data]

Kurbatov, 1948
Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

Marshall, Staveley, et al., 1956
Marshall, J.G.; Staveley, L.A.K.; Hart, K.R., A thermodynamic investigation of the transitions in carbon tetrabromide and ammonium chloride, Trans. Faraday Soc., 1956, 52, 19-31. [all data]

Frederick and Hildebrand, 1939
Frederick, K.J.; Hildebrand, J.H., Specific heats and heats of fusion and transition of carbon tetrabromide, J. Am. Chem. Soc., 1939, 61, 1555-1558. [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]

King, Golden, et al., 1971
King, K.D.; Golden, D.M.; Benson, S.W., Kinetics and thermochemistry of the gas-phase bromination of bromoform. The C-H bond dissociation energy in CHBr₃ and the C-Br bond dissociation energy in CBr₄, J. Phys. Chem., 1971, 75, 987-989. [all data]

Calado, Dias, et al., 1980
Calado, J.C.G.; Dias, A.R.; Martinho Simões, J.A., J. Organometal. Chem., 1980, 195, 203. [all data]

Notes

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Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
C_p,solid	Constant pressure heat capacity of solid
S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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