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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Phase change data
Go To: Top, Gas phase ion energetics 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 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° | 54.5 ± 0.7 | kJ/mol | C | Bickerton, Minas Da Piedade, et al., 1984 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
48.2 | 384. | A | Stephenson and Malanowski, 1987 | Based on data from 369. to 463. K. See also Stull, 1947.; AC |
48.3 | 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 (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
369.5 to 462.7 | 3.4003 | 1152.616 | -123.007 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.95 | 363.2 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
18.58 | 320. | Domalski and Hearing, 1996 | CAL |
10.88 | 363.2 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
6.669 | 320.0 | crystaline, II | crystaline, I | Marshall, Staveley, et al., 1956 | DH |
5.941 | 320.0 | crystaline, II | crystaline, I | Frederick and Hildebrand, 1939 | DH |
3.954 | 363.2 | crystaline, I | liquid | Frederick and Hildebrand, 1939 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
20.84 | 320.0 | crystaline, II | crystaline, I | Marshall, Staveley, et al., 1956 | DH |
18.57 | 320.0 | crystaline, II | crystaline, I | Frederick and Hildebrand, 1939 | DH |
10.89 | 363.2 | crystaline, I | liquid | Frederick and Hildebrand, 1939 | DH |
Gas phase ion energetics data
Go To: Top, Phase change 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 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
B - John E. Bartmess
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.31 ± 0.02 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.0598 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable. G3MP2B3 calculations indicate an EA of ca. 1.4 eV.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.3 ± 0.2 | EI | Kime, Driscoll, et al., 1987 | LBLHLM |
10.8 ± 0.3 | EI | Kaposi, Riedel, et al., 1976 | LLK |
10.31 ± 0.02 | PI | Werner, Tsai, et al., 1974 | LLK |
10.54 | PE | Dixon, Murrell, et al., 1971 | Vertical value; LLK |
10.39 | PE | Potts, Lempka, et al., 1970 | Vertical value; RDSH |
10.40 | PE | Green, Green, et al., 1970 | Vertical value; RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Br+ | 14.5 ± 0.5 | ? | EI | Kaposi, Riedel, et al., 1976 | LLK |
Br+ | 18.1 ± 0.2 | ? | EI | Thorburn, 1965 | RDSH |
Br2+ | 17.2 ± 0.3 | ? | EI | Kaposi, Riedel, et al., 1976 | LLK |
Br2+ | 13.3 ± 0.1 | ? | EI | DeCorpo and Franklin, 1971 | LLK |
C+ | 23.0 ± 0.5 | ? | EI | Kaposi, Riedel, et al., 1976 | LLK |
C+ | 23.1 ± 0.4 | ? | EI | Thorburn, 1965 | RDSH |
CBr+ | 19.3 ± 0.4 | 3Br | EI | Kaposi, Riedel, et al., 1976 | LLK |
CBr+ | 17.5 ± 0.2 | ? | EI | Thorburn, 1965 | RDSH |
CBr+ | 16.35 ± 0.13 | ? | EI | Reed and Snedden, 1958 | RDSH |
CBr2+ | 14.5 ± 0.3 | ? | EI | Kaposi, Riedel, et al., 1976 | LLK |
CBr2+ | 14.6 ± 0.3 | ? | EI | Thorburn, 1965 | RDSH |
CBr2+ | 12.30 ± 0.08 | ? | EI | Reed and Snedden, 1958 | RDSH |
CBr3+ | 11.4 ± 0.3 | Br | EI | Kaposi, Riedel, et al., 1976 | LLK |
CBr3+ | 10.47 ± 0.02 | Br | PI | Werner, Tsai, et al., 1974 | LLK |
CBr3+ | 11.3 ± 0.2 | Br | EI | Thorburn, 1965 | RDSH |
CBr3+ | 9.95 ± 0.05 | Br | EI | Reed and Snedden, 1958 | RDSH |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics 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: 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, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [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]
Kaposi, Riedel, et al., 1976
Kaposi, O.; Riedel, M.; Vass-Balthazar, K.; Sanchez, G.R.; Lelik, L.,
Mass-spectrometric determination of thermochemical data of CHBr3 and CBr4 by study of their electron impact and heterogeneous pyrolytic decompositions,
Acta Chim. Acad. Sci. Hung., 1976, 89, 221. [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]
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]
Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C.,
Photoelectron spectra of the halides of elements in groups III, IV, V and VI,
Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [all data]
Green, Green, et al., 1970
Green, J.C.; Green, M.L.H.; Joachim, P.J.; Orchard, A.F.; Turner, D.W.,
A study of the bonding in the group IV tetrahalides by photoelectron spectroscopy,
Phil. Trans. Roy. Soc. (London), 1970, A268, III. [all data]
Thorburn, 1965
Thorburn, R.,
Ionization and dissociation by electron impact in carbon tetrabromide,
Brit. J. Appl. Phys., 1965, 16, 1397. [all data]
DeCorpo and Franklin, 1971
DeCorpo, J.J.; Franklin, J.L.,
Electron affinities of the halogen molecules by dissociative electron attachment,
J. Chem. Phys., 1971, 54, 1885. [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]
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, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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