Ethyl bromide
- Formula: C2H5Br
- Molecular weight: 108.965
- IUPAC Standard InChI: InChI=1S/C2H5Br/c1-2-3/h2H2,1H3
- IUPAC Standard InChIKey: RDHPKYGYEGBMSE-UHFFFAOYSA-N
- CAS Registry Number: 74-96-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Ethane, bromo-; Bromic ether; Bromoethane; Hydrobromic ether; Monobromoethane; C2H5Br; 1-Bromoethane; Bromure d'ethyle; Etylu bromek; Halon 2001; NCI-C55481; UN 1891; NSC 8824
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Vibrational and/or electronic energy levels
Go To: Top, 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: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | CH3 d-str | 2988 | C | 2988 S | gas | 2971 p | liq. | OV(ν13) | |
| a' | 2 | CH2 s-str | 2937 | B | 2936.5 S | gas | 2924 p | liq. | ||
| a' | 3 | CH3 s-str | 2880 | B | 2879.8 S | gas | ||||
| a' | 4 | CH2 scis | 1451 | D | 1451 M | gas | 1442 dp | liq. | OV(ν5+ν14) | |
| a' | 5 | CH3 d-deform | 1451 | D | 1451 M | gas | 1442 dp | liq. | OV(ν4+ν14) | |
| a' | 6 | CH3 s-deform | 1386 | B | 1386 M | gas | ||||
| a' | 7 | CH2 wag | 1252 | E | 1258 VS | gas | 1248 p | liq. | FR(ν9+ν11) | |
| a' | 7 | CH2 wag | 1252 | E | 1247 VS | gas | 1248 p | liq. | FR(ν9+ν11) | |
| a' | 8 | CH3 rock | 1061 | D | 1061 VW | gas | 1069 p | liq. | ||
| a' | 9 | CC str | 964 | B | 964 S | gas | 960 dp | liq. | OV(ν15) | |
| a' | 10 | CBr str | 583 | B | 583 VS | gas | 560 p | liq. | ||
| a' | 11 | CCBr deform | 290 | B | 290 S | gas | 292 p | liq. | ||
| a | 12 | CH2 a-str | 3018 | B | 3018 S | gas | ||||
| a | 13 | CH3 d-str | 2988 | C | 2988 S | gas | 2971 p | liq. | OV(ν1) | |
| a | 14 | CH3 d-deform | 1451 | D | 1451 M | gas | 1442 dp | liq. | OV(ν4,ν5) | |
| a | 15 | CH2 twist | 1248 | E | CF | |||||
| a | 16 | CH3 rock | 964 | D | 964 S | gas | 960 dp | liq. | OV(ν9) | |
| a | 17 | CH2 rock | 770 | B | 770 M | gas | ||||
| a | 18 | Torsion | 247 | C | 247 | gas | MW: ν247 | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| VW | Very weak |
| p | Polarized |
| dp | Depolarized |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| CF | Calculated frequency |
| OV | Overlapped by band indicated in parentheses. |
| MW | Torsional Frequency calculated from microwave spectroscopic data. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
References
Go To: Top, 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.
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, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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