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Methane, bromotrichloro-

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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
Deltafgas-42. ± 1.kJ/molEqkMendenhall, Golden, et al., 1973see Benson, 1965
Deltafgas-39.kJ/molKinSullivan and Davidson, 1951 

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 by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
149.4298.Bengough and Thomson, 1959Mean value 25 to 50°C.

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, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
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

Quantity Value Units Method Reference Comment
Tboil376.65KN/AZakharkin, 1952Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus268.KN/ADreisbach, 1955Uncertainty assigned by TRC = 0.02 K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
35.0288.N/AKudchadker, Kudchadker, et al., 1979Based on data from 273. - 387. K.; AC
36.1309.ADykyj, 1970Based on data from 294. - 443. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
2.54267.5ACAcree, 1991See also Ohta, Yamamuro, et al., 1995.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
19.4238.2Cypcar, Johnson, et al., 1995CAL
2.03259.3
7.58267.9

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 by: 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

Trichloromethane + Bromine = Hydrogen bromide + Methane, bromotrichloro-

By formula: CHCl3 + Br2 = HBr + CBrCl3

Quantity Value Units Method Reference Comment
Deltar-5.9 ± 0.4kJ/molEqkMendenhall, Golden, et al., 1973gas phase

Carbon Tetrachloride + Bromine = bromine chloride + Methane, bromotrichloro-

By formula: CCl4 + Br2 = BrCl + CBrCl3

Quantity Value Units Method Reference Comment
Deltar37. ± 1.kJ/molEqkMendenhall, Golden, et al., 1973gas phase

Hydrogen bromide + Methane, bromotrichloro- = Trichloromethane + Bromine

By formula: HBr + CBrCl3 = CHCl3 + Br2

Quantity Value Units Method Reference Comment
Deltar5.9kJ/molKinSullivan and Davidson, 1951gas phase

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 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

Ionization energy determinations

IE (eV) Method Reference Comment
11.05 ± 0.02PIWang and Leroi, 1983LBLHLM
10.6PENovak, Cvitas, et al., 1981LLK
10.91PENovak, Cvitas, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CCl3+10.9 ± 0.1BrEIFarmer, Henderson, et al., 1956RDSH

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-IW-5645
NIST MS number 228694

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

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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: 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 CCl3 s-str 716  C 719 VS liq. 716.3 p liq.
a1 2 CBr str 422  C 420 W liq. 422.3 p liq.
a1 3 CCl3 s-deform 247  C 247.3 p liq.
e 4 CCl3 d-str 775  C 773 VS liq. 775.3 dp liq.
e 5 CBr bend 295  C 294 W liq. 295.0 dp liq.
e 6 CCl3 d-deform 193  C 193.3 dp liq.

Source: Shimanouchi, 1972

Notes

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

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedOV-1100.762.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-1125.772.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-175.754.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedSP-1000100.1087.48Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-1000125.1101.23Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-100075.1075.59Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone750.Zenkevich, 2001Program: not specified
CapillaryMethyl Silicone757.Zenkevich, 2001Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1070.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, Notes

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

Mendenhall, Golden, et al., 1973
Mendenhall, G.D.; Golden, D.M.; Benson, S.W., Thermochemistry of the bromination of carbon tetrachloride and the heat of formation of carbon tetrachloride, J. Phys. Chem., 1973, 77, 2707-2709. [all data]

Benson, 1965
Benson, S.W., Thermochemistry of the bromination of chloroform and the heat of formation of the CCl3 radical, J. Chem. Phys., 1965, 43, 2044-2046. [all data]

Sullivan and Davidson, 1951
Sullivan, J.H.; Davidson, N., The kinetics of the forward and reverse reactions for the vapor phase thermal bromination of chloroform, J. Chem. Phys., 1951, 19, 143-148. [all data]

Bengough and Thomson, 1959
Bengough, W.I.; Thomson, R.A.M., A dilatometric method of measuring the heats of radiation-induced reactions. Part 2.- The heat of photochemical addition of bromotrichloromethane to vinyl acetate, Trans. Faraday Soc., 1959, 55, 268-271. [all data]

Zakharkin, 1952
Zakharkin, L.I., Bromotrichloromethane, Sint. Org. Soedin., 1950-52, 1952, 2, 18. [all data]

Dreisbach, 1955
Dreisbach, R.R., Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [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]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [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]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Ohta, Yamamuro, et al., 1995
Ohta, Tomoko; Yamamuro, Osamu; Matsuo, Takasuke, Heat Capacities and Phase Transitions of CBrCl3 and CBr2Cl2, J. Phys. Chem., 1995, 99, 8, 2403-2407, https://doi.org/10.1021/j100008a024 . [all data]

Cypcar, Johnson, et al., 1995
Cypcar, C.C.; Johnson, G.; Mathias, L.J., Molecular motions in low molar-mass alkyl amides: models for thermal transitions in polyamides, Polym. Prepr. (Am. Chem. Soc. Div. Polym. Chem.), 1995, 36, 2, 402. [all data]

Wang and Leroi, 1983
Wang, F.C.-Y.; Leroi, G.E., Photoionization and fragmentation of halogenated methanes, Ann. Isr. Phys. Soc., 1983, 6, 210. [all data]

Novak, Cvitas, et al., 1981
Novak, I.; Cvitas, T.; Klasinc, L.; Gusten, H., Photoelectron spectra of some halogenomethanes, J. Chem. Soc. Faraday Trans. 2, 1981, 77, 2049. [all data]

Farmer, Henderson, et al., 1956
Farmer, J.B.; Henderson, I.H.S.; Lossing, F.P.; Marsden, D.G.H., Free radicals by mass spectrometry. IX. Ionization potentials of CF3 and CCl3 radicals and bond dissociation energies in some derivatives, J. Chem. Phys., 1956, 24, 348. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [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]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, References