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
Δfgas-42. ± 1.kJ/molEqkMendenhall, Golden, et al., 1973see Benson, 1965
Δfgas-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

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

Enthalpy of fusion

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

Entropy of fusion

ΔfusS (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
Δr-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
Δr37. ± 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
Δr5.9kJ/molKinSullivan and Davidson, 1951gas phase

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

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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:   C     Symmetry Number σ = 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

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.

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]

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


Notes

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