Carbon tetrabromide
- Formula: CBr4
- Molecular weight: 331.627
- IUPAC Standard InChIKey: HJUGFYREWKUQJT-UHFFFAOYSA-N
- CAS Registry Number: 558-13-4
- 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, tetrabromo-; Carbon bromide (CBr4); Methane tetrabromide; Tetrabromomethane; CBr4; Carbon bromide; Bromid uhlicity; UN 2516; NSC 6179
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 12.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1963 |
ΔfH°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)
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 (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 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 367.6 | K | N/A | Silver and Rudman, 1970 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 365. | K | N/A | Sharpe and Walker, 1962 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 364.05 | K | N/A | Vanderwerf, Davidson, et al., 1948 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 13.0 ± 0.2 | kcal/mol | C | Bickerton, Minas Da Piedade, et al., 1984 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.5 | 384. | A | Stephenson and Malanowski, 1987 | Based on data from 369. to 463. K. See also Stull, 1947.; AC |
11.5 | 390. | N/A | Kudchadker, Kudchadker, et al., 1979 | Based on data from 375. to 463. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
369.5 to 462.7 | 3.3946 | 1152.616 | -123.007 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.944 | 363.2 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.441 | 320. | Domalski and Hearing, 1996 | CAL |
2.600 | 363.2 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.594 | 320.0 | crystaline, II | crystaline, I | Marshall, Staveley, et al., 1956 | DH |
1.420 | 320.0 | crystaline, II | crystaline, I | Frederick and Hildebrand, 1939 | DH |
0.9450 | 363.2 | crystaline, I | liquid | Frederick and Hildebrand, 1939 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
4.981 | 320.0 | crystaline, II | crystaline, I | Marshall, Staveley, et al., 1956 | DH |
4.438 | 320.0 | crystaline, II | crystaline, I | Frederick and Hildebrand, 1939 | DH |
2.603 | 363.2 | crystaline, I | liquid | Frederick and Hildebrand, 1939 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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:
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) + (solution) =
(solution) +
(solution)
By formula: C8H6MoO3 (solution) + CBr4 (solution) = C8H5BrMoO3 (solution) + CHBr3 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -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 |
By formula: CHBr3 + Br2 = HBr + CBr4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.7 ± 0.7 | kcal/mol | Eqk | King, Golden, et al., 1971 | gas phase; ALS |
C10H12Mo (cr) + 2 (cr) = C10H10Br2Mo (cr) + 2
(l)
By formula: C10H12Mo (cr) + 2CBr4 (cr) = C10H10Br2Mo (cr) + 2CHBr3 (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -70.9 ± 1.1 | kcal/mol | RSC | Calado, Dias, et al., 1980 | MS |
C10H12W (cr) + 2 (cr) = C10H10Br2W (cr) + 2
(l)
By formula: C10H12W (cr) + 2CBr4 (cr) = C10H10Br2W (cr) + 2CHBr3 (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -72.30 ± 0.53 | kcal/mol | RSC | Calado, Dias, et al., 1980 | MS |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas Chromatography, 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
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-2301 |
NIST MS number | 230282 |
Gas Chromatography
Go To: Top, Gas 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-1 | 100. | 1046. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 125. | 1060. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 75. | 1035. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SP-1000 | 100. | 1677.81 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 125. | 1690.77 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 1050. | Zenkevich, 2001 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1054. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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]
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]
Silver and Rudman, 1970
Silver, L.; Rudman, R.,
Polymorphism of the Crystalline Methylchloromethane Compounds. A Differential Scanning Calorimetric Study,
J. Phys. Chem., 1970, 74, 3134-9. [all data]
Sharpe and Walker, 1962
Sharpe, A.N.; Walker, S.,
Molecular interaction: polarisation studies of mixtures of pyridine with polyhalogenated hydrocarbons,
J. Chem. Soc., 1962, 1962, 157. [all data]
Vanderwerf, Davidson, et al., 1948
Vanderwerf, C.A.; Davidson, A.W.; Michaelis, C.I.,
Compound Formation Betwee 2,6-Lutidine and Polyhalogenated Methanes,
J. Am. Chem. Soc., 1948, 70, 908. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Kudchadker, Kudchadker, et al., 1979
Kudchadker, A.P.; Kudchadker, S.A.; Shukla, R.P.; Patnaik, P.R.,
Vapor pressures and boiling points of selected halomethanes,
J. Phys. Chem. Ref. Data, 1979, 8, 2, 499, https://doi.org/10.1063/1.555600
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [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]
Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C.,
Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases,
J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8
. [all data]
Zenkevich, 2001
Zenkevich, I.G.,
Comparative Characterization of Conditions for Unambuguous Chromatographic Identification of Organic Compounds,
Zh. Anal. Khim., 2001, 56, 9, 915-924. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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