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Methane, tribromo-

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

Quantity Value Units Method Reference Comment
Deltafgas55.4 ± 3.3kJ/molCcrPapina, Kolesov, et al., 1982 

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid9.4 ± 3.3kJ/molCcrPapina, Kolesov, et al., 1982ALS
Quantity Value Units Method Reference Comment
Deltacliquid-545.8 ± 3.3kJ/molCcrPapina, Kolesov, et al., 1982ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
130.5298.Kurbatov, 1948T = 9 to 147°C. Mean Cp, four temperatures.; DH
135.1298.Trew, 1932DH

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:
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
Deltavap46.06kJ/molN/AMajer and Svoboda, 1985 
Deltavap46.05 ± 0.10kJ/molCLaynez and Wadso, 1972ALS
Deltavap46.1 ± 0.1kJ/molCLaynez, Wadsö, et al., 1972AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
39.66422.3N/AMajer and Svoboda, 1985 
42.3335.EBBoublík and Aim, 1972Based on data from 320. - 412. K. See also Kudchadker, Kudchadker, et al., 1979.; AC
44.0318.N/AKireev and Sitnikov, 1941Based on data from 303. - 373. K. See also Boublik, Fried, et al., 1984.; 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
303. - 374.03.915411363.237-73.148Simnikov, 1941Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
11.046281.84Golovanova and Kolesov, 1984, 2DH
11.09281.5Kafarov, Dorokhov, et al., 1987AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
39.2281.84Golovanova 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

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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
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
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

CBr3- + Hydrogen cation = Methane, tribromo-

By formula: CBr3- + H+ = CHBr3

Quantity Value Units Method Reference Comment
Deltar1463. ± 9.2kJ/molG+TSBorn, Ingemann, et al., 2000gas phase; B
Quantity Value Units Method Reference Comment
Deltar1431. ± 8.4kJ/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
Deltar-93.72kJ/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
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

Henry's Law 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 by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
1.75200.LN/A
1.45000.MN/A
1.94300.XN/A
2.35700.MN/A
2.05200.XN/A
1.94700.XN/A
2.3 MNicholson, Maguire, et al., 1984
1.7 CNicholson, Maguire, et al., 1984
1.82700.XN/A
1.6 LN/A
1.5 VN/A

Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
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
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
IE (evaluated)10.50 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.5PEVon Niessen, Asbrink, et al., 1982LBLHLM
10.7 ± 0.3EIKaposi, Riedel, et al., 1976LLK
10.48 ± 0.02PITsai, Baer, et al., 1975LLK
10.51 ± 0.02PIWatanabe, Nakayama, et al., 1962RDSH
10.47PENicholson and Rademacher, 1974Vertical value; LLK
10.47PEDixon, Murrell, et al., 1971Vertical value; LLK
10.47PEPotts, Lempka, et al., 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+15.4 ± 0.4CHBr2EIKaposi, Riedel, et al., 1976LLK
HBr+14.7 ± 0.3CBr2EIKaposi, Riedel, et al., 1976LLK
Br2+15.1 ± 0.3CHBrEIKaposi, Riedel, et al., 1976LLK
C+23.6 ± 0.5H+3BrEIKaposi, Riedel, et al., 1976LLK
C+23.55 ± 0.05?EIReed and Snedden, 1956RDSH
CBr+16.2 ± 0.4HBr+BrEIKaposi, Riedel, et al., 1976LLK
CBr2+13.7 ± 0.2HBrEIKaposi, Riedel, et al., 1976LLK
CBr3+13.0 ± 0.3HEIKaposi, Riedel, et al., 1976LLK
CH+20.5 ± 0.53BrEIKaposi, Riedel, et al., 1976LLK
CH+21.70 ± 0.05?EIReed and Snedden, 1956RDSH
CHBr+17.4 ± 0.42BrEIKaposi, Riedel, et al., 1976LLK
CHBr2+10.53BrEIHolmes, Lossing, et al., 1988LL
CHBr2+10.70 ± 0.02BrPITsai, Baer, et al., 1975LLK
CHBr2+10.80 ± 0.01BrEIReed and Snedden, 1956RDSH

De-protonation reactions

CBr3- + Hydrogen cation = Methane, tribromo-

By formula: CBr3- + H+ = CHBr3

Quantity Value Units Method Reference Comment
Deltar1463. ± 9.2kJ/molG+TSBorn, Ingemann, et al., 2000gas phase; B
Quantity Value Units Method Reference Comment
Deltar1431. ± 8.4kJ/molIMREBorn, Ingemann, et al., 2000gas phase; B

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)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, 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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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-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.


UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Dorr and Buttgereit, 1971
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19863
Instrument Zeiss PMQ II
Boiling point 150

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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:   C3nu     Symmetry Number sigma = 3


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

a1 1 CH str 3042  B 3042 M gas 3017 p liq.
a1 2 CBr3 s-str 541  B 541 M gas 540 p liq.
a1 3 CBr3 s-deform 222  C 222 p liq.
e 4 CH bend 1149  B 1149 VS gas 1143 dp liq.
e 5 CBr3 d-str 669  B 669 VS gas 655 dp liq.
e 6 CBr d-deform 155  C 155 dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
MMedium
pPolarized
dpDepolarized
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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.

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]

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]

Trew, 1932
Trew, V.C.G., Physical properties of mixtures of acetone and bromoform, Trans. Faraday Soc., 1932, 28, 509-514. [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]

Nicholson, Maguire, et al., 1984
Nicholson, B.C.; Maguire, B.P.; Bursill, D.B., Henry's Law Constants for the Trihalomethanes: Effects of Water Composition and Temperature, Environ. Sci. Technol., 1984, 18, 518-521. [all data]

Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G., 30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I), J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [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]

Tsai, Baer, et al., 1975
Tsai, B.P.; Baer, T.; Werner, A.S.; Lin, S.F., A photoelectron-photoion coincidence study of the ionization and fragment appearance potentials of bromo- and iodomethanes, J. Phys. Chem., 1975, 79, 570. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Nicholson and Rademacher, 1974
Nicholson, D.G.; Rademacher, P., Photoelectron spectra and electronic structures of antimony(III) halides, Acta Chem. Scand. Ser. A:, 1974, 28, 1136. [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]

Reed and Snedden, 1956
Reed, R.I.; Snedden, W., Studies in electron impact methods. Part 6.-The formation of the methine and carbon ions, J. Chem. Soc. Faraday Trans., 1956, 55, 876. [all data]

Holmes, Lossing, et al., 1988
Holmes, J.L.; Lossing, F.P.; McFarlane, R.A., Stabilization energy and positional effects in halogen-substituted alkyl ions., Int. J. Mass Spectrom. Ion Phys., 1988, 86, 209. [all data]

Dorr and Buttgereit, 1971
Dorr, F.; Buttgereit, G., UV atlas of organic compounds, 1971, 5, I/2. [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, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, References