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Methane, dibromo-

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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
104.1298.15Shehatta, 1993 
105.3300.Harrison and Moelwyn-Hughes, 1957T = 243 to 303 K.
127.2298.Kurbatov, 1948T = -22 to 98°C. Mean Cp, four temperatures.

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil370. ± 1.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus220.45KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.5 K; TRC
Tfus220.63KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap37.03kJ/molN/AMajer and Svoboda, 1985 
Deltavap36.97 ± 0.10kJ/molCLaynez and Wadso, 1972ALS
Deltavap37.0 ± 0.1kJ/molA,ELaynez, Wadsö, et al., 1972AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
32.92370.1N/AMajer and Svoboda, 1985 
36.5288.CKudchadker, Kudchadker, et al., 1979Based on data from 273. - 373. K.; AC
37.8253.N/AStull, 1947Based on data from 238. - 371. 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
238.1 - 371.84.517341546.096-28.977Stull, 1947Coefficents calculated by NIST from author's data.

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:
B - John E. Bartmess
MS - José A. Martinho Simões

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

CHBr2- + Hydrogen cation = Methane, dibromo-

By formula: CHBr2- + H+ = CH2Br2

Quantity Value Units Method Reference Comment
Deltar1544. ± 13.kJ/molG+TSBorn, Ingemann, et al., 2000gas phase; B
Quantity Value Units Method Reference Comment
Deltar1512. ± 13.kJ/molIMRBBorn, Ingemann, et al., 2000gas phase; B

C14H21MnO2 (solution) + Methane, dibromo- (solution) = C8H7Br2MnO2 (solution) + Heptane (solution)

By formula: C14H21MnO2 (solution) + CH2Br2 (solution) = C8H7Br2MnO2 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-51.0 ± 5.0kJ/molPACYang and Yang, 1992solvent: Heptane; MS

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-4074
NIST MS number 229033

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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:   C2nu     Symmetry Number sigma = 2


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

a1 1 CH2 s-str 3009  C 3009 W gas 3008 gas
a1 2 CH2 scis 1382  C 1382 VW gas 1402 gas
a1 3 CBr2 s-str 588  C 588 M gas 584 gas
a1 4 CBr2 scis 169  C 169 gas
a2 5 CH2 twist 1095  D  ia 1095 liq.
b1 6 CH2 a-str 3073  B 3073 VW gas 3064 liq.
b1 7 CH2 rock 812  B 812 M gas 813 liq.
b2 8 CH2 wag 1195  B 1195 VS gas 1195 liq.
b2 9 CBr a-str 653  B 653 VS gas 640 gas

Source: Shimanouchi, 1972

Notes

VSVery strong
MMedium
WWeak
VWVery weak
iaInactive
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, 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.

Shehatta, 1993
Shehatta, I., Heat capacity at constant pressure of some halogen compounds, Thermochim. Acta, 1993, 213, 1-10. [all data]

Harrison and Moelwyn-Hughes, 1957
Harrison, D.; Moelwyn-Hughes, E.A., The heat capacities of certain liquids, Proc. Roy. Soc. (London), 1957, A239, 230-246. [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]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [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]

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]

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]

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]

Yang and Yang, 1992
Yang, P.-F.; Yang, K.G., J. Am. Chem. Soc., 1992, 114, 6937. [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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