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Carbon tetrabromide

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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas50.21kJ/molReviewChase, 1998Data last reviewed in December, 1963
Deltafgas83.9 ± 3.4kJ/molCcbBickerton, Minas Da Piedade, et al., 1984ALS
Quantity Value Units Method Reference Comment
gas,1 bar358.00J/mol*KReviewChase, 1998Data 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 (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. - 6000.
A 105.1468
B 2.487623
C -0.670708
D 0.057056
E -1.342609
F 14.25271
G 476.9760
H 50.20800
ReferenceChase, 1998
Comment Data last reviewed in December, 1963

Condensed 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:
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
Deltafsolid29.4 ± 3.4kJ/molCcbBickerton, Minas Da Piedade, et al., 1984ALS
Quantity Value Units Method Reference Comment
Deltacsolid-422.9 ± 3.3kJ/molCcbBickerton, Minas Da Piedade, et al., 1984ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
162.3373.Kurbatov, 1948T = 96 to 182°C. Mean Cp, three temperatures.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
145.9298.15Bickerton, Minas Da Piedade, et al., 1984Cp given as 0.44 J/g*K.; DH
128.66300.6Marshall, Staveley, et al., 1956T = 22 to 84°C.; DH
148.4298.Frederick and Hildebrand, 1939T = 298 to 423 K.; DH

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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
Tfus367.6KN/ASilver and Rudman, 1970Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Tfus365.KN/ASharpe and Walker, 1962Uncertainty assigned by TRC = 0.5 K; TRC
Tfus364.05KN/AVanderwerf, Davidson, et al., 1948Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Deltasub54.5 ± 0.7kJ/molCBickerton, Minas Da Piedade, et al., 1984ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
48.2384.AStephenson and Malanowski, 1987Based on data from 369. - 463. K. See also Stull, 1947.; AC
48.3390.N/AKudchadker, Kudchadker, et al., 1979Based on data from 375. - 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 - 462.73.40031152.616-123.007Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
3.95363.2Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
18.58320.Domalski and Hearing, 1996CAL
10.88363.2

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.669320.0crystaline, IIcrystaline, IMarshall, Staveley, et al., 1956DH
5.941320.0crystaline, IIcrystaline, IFrederick and Hildebrand, 1939DH
3.954363.2crystaline, IliquidFrederick and Hildebrand, 1939DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
20.84320.0crystaline, IIcrystaline, IMarshall, Staveley, et al., 1956DH
18.57320.0crystaline, IIcrystaline, IFrederick and Hildebrand, 1939DH
10.89363.2crystaline, IliquidFrederick and Hildebrand, 1939DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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:
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) = Cyclopentadienylmolybdenumtricarbonyl bromide (solution) + Methane, tribromo- (solution)

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

Quantity Value Units Method Reference Comment
Deltar-143.9 ± 8.4kJ/molRSCNolan, López de la Vega, et al., 1986solvent: 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

Methane, tribromo- + Bromine = Hydrogen bromide + Carbon tetrabromide

By formula: CHBr3 + Br2 = HBr + CBr4

Quantity Value Units Method Reference Comment
Deltar-7. ± 3.kJ/molEqkKing, Golden, et al., 1971gas phase; ALS

C10H12Mo (cr) + 2Carbon tetrabromide (cr) = C10H10Br2Mo (cr) + 2Methane, tribromo- (l)

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

Quantity Value Units Method Reference Comment
Deltar-296.5 ± 4.5kJ/molRSCCalado, Dias, et al., 1980MS

C10H12W (cr) + 2Carbon tetrabromide (cr) = C10H10Br2W (cr) + 2Methane, tribromo- (l)

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

Quantity Value Units Method Reference Comment
Deltar-302.5 ± 2.2kJ/molRSCCalado, Dias, et al., 1980MS

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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: Takehiko Shimanouchi

Symmetry:   Td     Symmetry Number sigma = 12


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 267  C  ia 267 p solid solid
e 2 Deg deform 122  C  ia 122 dp solid solid
f2 3 Deg str 672  C 672 VS liq. 671 dp solid solid
f2 4 Deg deform 182  C 182 dp solid solid

Source: Shimanouchi, 1972

Notes

VSVery strong
iaInactive
pPolarized
dpDepolarized
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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]

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]

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]

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]

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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References