Methane, tribromo-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas13.2 ± 0.79kcal/molCcrPapina, Kolesov, et al., 1982 

Phase change data

Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil422. ± 2.KAVGN/AAverage of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus279. ± 10.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple281.84KN/AGolovanova and Kolesov, 1984Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Δvap11.01kcal/molN/AMajer and Svoboda, 1985 
Δvap11.01 ± 0.024kcal/molCLaynez and Wadso, 1972ALS
Δvap11.0 ± 0.02kcal/molCLaynez, Wadsö, et al., 1972AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
9.479422.3N/AMajer and Svoboda, 1985 
10.1335.EBBoublík and Aim, 1972Based on data from 320. to 412. K. See also Kudchadker, Kudchadker, et al., 1979.; AC
10.5318.N/AKireev and Sitnikov, 1941Based on data from 303. to 373. K. See also Boublik, Fried, et al., 1984.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
303. to 374.03.909701363.237-73.148Simnikov, 1941Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.6401281.84Golovanova and Kolesov, 1984, 2DH
2.651281.5Kafarov, Dorokhov, et al., 1987AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
9.37281.84Golovanova and Kolesov, 1984, 2DH

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

Go To: Top, Gas phase thermochemistry data, Phase change 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 as indicated in comments:
MS - José A. Martinho Simões
B - John E. Bartmess
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
Δr-34.4 ± 2.0kcal/molRSCNolan, López de la Vega, et al., 1986solvent: 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

CBr3- + Hydrogen cation = Methane, tribromo-

By formula: CBr3- + H+ = CHBr3

Quantity Value Units Method Reference Comment
Δr349.7 ± 2.2kcal/molG+TSBorn, Ingemann, et al., 2000gas phase; B
Quantity Value Units Method Reference Comment
Δr342.0 ± 2.0kcal/molIMREBorn, Ingemann, et al., 2000gas phase; B

Acetaldehyde, tribromo- + Sodium hydroxide = sodium formate + Methane, tribromo-

By formula: C2HBr3O + HNaO = CHNaO2 + CHBr3

Quantity Value Units Method Reference Comment
Δr-22.40kcal/molCmPritchard and Skinner, 1950liquid phase; Heat of hydrolysis; ALS

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

By formula: CHBr3 + Br2 = HBr + CBr4

Quantity Value Units Method Reference Comment
Δr-1.7 ± 0.7kcal/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
Δr-70.9 ± 1.1kcal/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
Δr-72.30 ± 0.53kcal/molRSCCalado, Dias, et al., 1980MS

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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-IW-3681
NIST MS number 228302

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.


References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Papina, Kolesov, et al., 1982
Papina, T.S.; Kolesov, V.P.; Golovanova, Yu.G., The standard enthalpy of formation of bromoform, Russ. J. Phys. Chem. (Engl. Transl.), 1982, 56, 1666-1668. [all data]

Golovanova and Kolesov, 1984
Golovanova, Y.G.; Kolesov, V.P., Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds, Vestn. Mosk. Univ., Ser. 2: Khim., 1984, 25, 244. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Laynez and Wadso, 1972
Laynez, J.; Wadso, I., Enthalpies of vaporization of organic compounds. IX. Some halogen substituted hydrocarbons and esters, Acta Chem. Scand., 1972, 26, 3148. [all data]

Laynez, Wadsö, et al., 1972
Laynez, José; Wadsö, Ingemar; Haug, Arne; Songstad, J.; Pilotti, Åke, Enthalpies of Vaporization of Organic Compounds. IX. Some Halogen Substituted Hydrocarbons and Esters., Acta Chem. Scand., 1972, 26, 3148-3152, https://doi.org/10.3891/acta.chem.scand.26-3148 . [all data]

Boublík and Aim, 1972
Boublík, T.; Aim, K., Heats of vaporization of simple non-spherical molecule compounds, Collect. Czech. Chem. Commun., 1972, 37, 11, 3513-3521, https://doi.org/10.1135/cccc19723513 . [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]

Kireev and Sitnikov, 1941
Kireev, V.A.; Sitnikov, I.P., Russ. J. Appl. Chem., 1941, 14, 483. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Simnikov, 1941
Simnikov, I.P., Increase of Enthalpy During Formation of Azeotropic Mixtures, Zh. Obshch. Khim., 1941, 14, 483-492. [all data]

Golovanova and Kolesov, 1984, 2
Golovanova, Yu.G.; Kolesov, V.P., Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds, Vestn. Mosk Univ., Ser. 2: Khim., 1984, 25(3), 244-248. [all data]

Kafarov, Dorokhov, et al., 1987
Kafarov, V.V.; Dorokhov, I.N.; Vetokhin, V.N.; Volkov, L.P., Dokl. Phys. Chem., 1987, 298, 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]

Born, Ingemann, et al., 2000
Born, M.; Ingemann, S.; Nibbering, N.M.M., Thermochemical properties of halogen-substituted methanes, methyl radicals, and carbenes in the gas phase, Int. J. Mass Spectrom., 2000, 194, 2-3, 103-113, https://doi.org/10.1016/S1387-3806(99)00125-6 . [all data]

Pritchard and Skinner, 1950
Pritchard, H.O.; Skinner, H.A., The heats of hydrolysis of chloral and bromal, and the C-C bond dissociation energies in chloral and bromal, J. Am. Chem. Soc., 1950, 1928-1931. [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

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References