Methane, bromo-
- Formula: CH3Br
- Molecular weight: 94.939
- IUPAC Standard InChI: InChI=1S/CH3Br/c1-2/h1H3
- IUPAC Standard InChIKey: GZUXJHMPEANEGY-UHFFFAOYSA-N
- CAS Registry Number: 74-83-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Isotopologues:
- Other names: Bromomethane; Curafume; Embafume; Halon 1001; Haltox; Iscobrome; Methyl bromide; Monobromomethane; Terabol; CH3Br; Bercema; Brom-methan; Brom-O-gas; Brom-O-gaz; Bromometano; Bromure de methyle; Bromuro di metile; Broommethaan; Celfume; Dawson 100; Detia gas ex-M; Dowfume mc-2; Dowfume mc-33; Dowfume mc-2 soil fumigant; Edco; Fumigant-1; Kayafume; MBX; MeBr; Metafume; Methogas; Methylbromid; Metylu bromek; Pestmaster; Profume; R 40B1; Rcra waste number U029; Terr-O-gas 67; Terr-O-gas 100; UN 1062; Zytox; Brom-O-sol; Methybrom
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -8.2 ± 0.2 | kcal/mol | Eqk | Ferguson, Okafo, et al., 1973 | |
| ΔfH°gas | -9.0 ± 0.32 | kcal/mol | Chyd | Adams, Carson, et al., 1966 | |
| ΔfH°gas | -8.97 ± 0.35 | kcal/mol | Chyd | Fowell, Lacher, et al., 1965 |
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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -14.49 ± 0.32 | kcal/mol | Chyd | Adams, Carson, et al., 1966 | Reanalyzed by Cox and Pilcher, 1970, Original value = -14.6 ± 0.32 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 37.079 | cal/mol*K | N/A | Egan and Kemp, 1938 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 27.39 | 283. | Kurbatov, 1948 | T = -67 to 9°C. Mean Cp, three temperatures.; DH |
| 18.84 | 280. | Egan and Kemp, 1938 | T = 15 to 280 K.; DH |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR 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: C3ν Symmetry Number σ = 3
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CH3 s-str | 2935 | E | 2972 M | gas | 2972 VS | liq. | FR(2ν5) | |
| a1 | 1 | CH3 s-str | 2935 | E | 2862.1 M | gas | 2862 W | liq. | FR(2ν5) | |
| a1 | 2 | CH3 s-deform | 1306 | A | 1305.9 S | gas | 1309 W | liq. | ||
| a1 | 3 | CBr str | 611 | A | 611.1 S | gas | 609 S | liq. | ||
| e | 4 | CH3 d-str | 3056 | A | 3056.35 S | gas | 3068 VS | liq. | ||
| e | 5 | CH3 d-deform | 1443 | A | 1442.7 M | gas | 1456 M | liq. | ||
| e | 6 | CH3 rock | 955 | A | 954.7 M | gas | 956 VW | liq. | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| A | 0~1 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR 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.
Ferguson, Okafo, et al., 1973
Ferguson, K.C.; Okafo, E.N.; Whittle, E.,
Bond dissociation energies from equilibrium studies Part 4.-The equilibrium Br2 + CH4 = HBr + CH3Br. Determination of D(CH3-Br) and ΔHf°(CH3Br,g),
J. Chem. Soc. Faraday Trans. 1, 1973, 69, 295-301. [all data]
Adams, Carson, et al., 1966
Adams, G.P.; Carson, A.S.; Laye, P.G.,
Thermochemistry of reductions caused by lithium aluminium hydride. Part 4.-Heat of formation of methyl bromide,
Trans. Faraday Soc., 1966, 62, 1447-1449. [all data]
Fowell, Lacher, et al., 1965
Fowell, P.; Lacher, J.R.; Park, J.D.,
Reaction heats of organic compounds. Part 3.-Heats of hydrogenation of methyl bromide and ethyl bromide,
Trans. Faraday Soc., 1965, 61, 1324-1327. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Egan and Kemp, 1938
Egan, C.J.; Kemp, J.D.,
Methyl bromide. The heat capacity, vapor pressure, heats of transition, fusion and vaporization. Entropy and density of the gas,
J. Am. Chem. Soc., 1938, 60, 2097-2101. [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]
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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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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