Ethane, 1,2-dibromo-
- Formula: C2H4Br2
- Molecular weight: 187.861
- IUPAC Standard InChIKey: PAAZPARNPHGIKF-UHFFFAOYSA-N
- CAS Registry Number: 106-93-4
- 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. - Isotopologues:
- Other names: α,β-Dibromoethane; sym-Dibromoethane; Aadibroom; Bromofume; Dowfume W-8; Dowfume W85; Ethylene bromide; Ethylene dibromide; EDB; Glycol Dibromide; Iscobrome D; Nefis; Sanhyuum; Soilfume; 1,2-Dibromoethane; CH2BrCH2Br; Dibromoethane; Aethylenbromid; Bromuro di etile; Celmide; DBE; 1,2-Dibromaethan; 1,2-Dibromoetano; Dibromure D'ethylene; 1,2-Dibroomethaan; Dowfume 40; Dowfume edb; Dowfume W-90; Dowfume W-100; Dwubromoetan; EDB-85; E-D-Bee; ENT 15,349; 1,2-Ethylene dibromide; Fumo-gas; Kopfume; NCI-C00522; Nephis; Pestmaster edb-85; Rcra waste number U067; Soilbrom; Soilbrom-40; Soilbrom-85; Soilbrom-90; Soilbrom-100; Soilbrome-85; Soilbrom-90ec; UN 1605; Unifume; Edabrom; α,ω-Dibromoethane; 1,2-dibromoethane (EDB)
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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
Trans form Symmetry: C2h Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
ag | 1 | CH2 s-str | 2972 | D | ia | 2972 p | liq. | |||
ag | 2 | CH2 scis | 1440 | C | ia | 1440 dp | liq. | |||
ag | 3 | CH2 wag | 1255 | C | ia | 1255 p | liq. | SF(ν12) | ||
ag | 4 | CC str | 1053 | C | ia | 1053 dp | liq. | |||
ag | 5 | CBr str | 660 | C | ia | 660 p | liq. | |||
ag | 6 | CCBr deform | 190 | C | ia | 190 p | liq. | |||
au | 7 | CH2 a-str | 3037 | D | 3037 S | liq. | ia | |||
au | 8 | CH2 twist | 1087 | C | 1087 M | liq. | ia | |||
au | 9 | CH2 rock | 753 | C | 753 S | liq. | ia | |||
au | 10 | Torsion | 118 | D | 118 | gas | 132 | |||
bg | 11 | CH2 a-str | 3013 | D | ia | 3013 dp | ||||
bg | 12 | CH2 twist | 1255 | C | ia | 1255 p | SF(ν3) | |||
bg | 13 | CH2 rock | 933 | C | ia | 933 p | ||||
bu | 14 | CH2 s-str | 2974 | D | 2974 S | liq. | ia | |||
bu | 15 | CH2 scis | 1441 | D | 1441 M | liq. | ia | |||
bu | 16 | CH2 wag | 1186 | C | 1186 VS | liq. | 1186 | liq. | ||
bu | 17 | CBr str | 589 | C | 589 S | liq. | ia | |||
bu | 18 | CCBr deform | 193 | D | 193 | liq. | ia | |||
Source: Shimanouchi, 1972
Gauche form Symmetry: C2 Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a | 1 | CH2 a-str | 3005 | D | 3005 | liq. | SF(ν11) | |||
a | 2 | CH2 s-str | 2953 | D | 2953 VS | liq. | 2953 p | liq. | SF(ν12) | |
a | 3 | CH2 scis | 1420 | C | 1420 M | liq. | 1419 dp | liq. | SF(ν13) | |
a | 4 | CH2 wag | 1278 | C | 1278 M | liq. | 1276 | liq. | ||
a | 5 | CH2 twist | 1104 | C | 1104 M | liq. | 1104 dp | liq. | SF(ν15) | |
a | 6 | CC str | 1019 | C | 1019 M | liq. | 1019 | liq. | ||
a | 7 | CH2 rock | 898 | C | 898 M | liq. | 899 p | liq. | ||
a | 8 | CBr str | 550 | C | 550 M | liq. | 551 | liq. | ||
a | 9 | CCBr deform | 231 | C | 231 p | liq. | ||||
a | 10 | Torsion | 91 | D | 91 dp | liq. | ||||
b | 11 | CH2 a-str | 3005 | D | 3005 | liq. | SF(ν1) | |||
b | 12 | CH2 s-str | 2953 | D | 2953 VS | liq. | 2953 p | liq. | SF(ν2) | |
b | 13 | CH2 scis | 1420 | C | 1420 M | liq. | 1419 dp | liq. | SF(ν3) | |
b | 14 | CH2 wag | 1245 | C | 1245 S | liq. | 1243 | liq. | ||
b | 15 | CH2 twist | 1104 | C | 1104 W | liq. | 1104 dp | liq. | SF(ν5) | |
b | 16 | CH2 rock | 836 | C | 836 S | liq. | 836 dp | liq. | ||
b | 17 | CBr str | 589 | C | 589 S | liq. | 583 dp | liq. | ||
b | 18 | CCBr deform | 355 | C | 355 | liq. | 355 dp | liq. | ||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
C | 3~6 cm-1 uncertainty |
D | 6~15 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
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