Dimethyl ether
- Formula: C2H6O
- Molecular weight: 46.0684
- IUPAC Standard InChIKey: LCGLNKUTAGEVQW-UHFFFAOYSA-N
- CAS Registry Number: 115-10-6
- 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: Methane, oxybis-; Methyl ether; Methoxymethane; Wood ether; Oxybismethane; (CH3)2O; Ether, dimethyl; Ether, methyl; UN 1033; Dimethyl oxide; Dymel A; Dymel; Demeon D; DME; Methane, 1,1'-oxybis-
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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: C2ν Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | CH3 d-str | 2996 | B | 2996 S | gas | 2989 S | liq. | ||
a1 | 2 | CH3 s-str | 2817 | B | 2817 S | gas | 2815 VS p | liq. | ||
a1 | 3 | CH3 d-deform | 1464 | D | 1464 M | gas | ||||
a1 | 4 | CH3 s-deform | 1452 | D | 1452 M | gas | 1452 S dp | liq. | ||
a1 | 5 | CH3 rock | 1244 | B | 1244 W | gas | ||||
a1 | 6 | CO s-str | 928 | B | 928 S | gas | 922 S p | liq. | ||
a1 | 7 | COC deform | 418 | C | 418 M | gas | 428 M p | liq. | ||
a2 | 8 | CH3 d-str | 2952 | C | ia | 2952 S | liq. | |||
a2 | 9 | CH3 d-deform | 1464 | D | ia | SF(ν3) | ||||
a2 | 10 | CH3 rock | 1150 | C | ia | 1150 M d | liq. | |||
a2 | 11 | Torsion | 203 | E | ia | CF | ||||
b1 | 12 | CH3 d-str | 2996 | B | 2996 S | gas | 2989 S | liq. | OV(ν1) | |
b1 | 13 | CH3 s-str | 2817 | B | 2817 S | gas | 2815 VS p | liq. | OV(ν2) | |
b1 | 14 | CH3 d-deform | 1464 | D | 1464 M | gas | OV(ν3) | |||
b1 | 15 | CH3 s-deform | 1452 | D | 1452 M | gas | 1452 S dp | liq. | OV(ν4) | |
b1 | 16 | CH3 rock | 1227 | C | 1227 W | liq. | ||||
b1 | 17 | CO a-str | 1102 | B | 1102 VS | gas | 1104 M dp | liq. | ||
b2 | 18 | CH3 d-str | 2925 | B | 2925 S | gas | ||||
b2 | 19 | CH3 d-deform | 1464 | D | 1464 M | gas | OV(ν3) | |||
b2 | 20 | CH3 rock | 1179 | B | 1179 VS | gas | 1170 sh | liq. | ||
b2 | 21 | Torsion | 242 | C | 242 W | gas | ||||
Source: Shimanouchi, 1972
Notes
d | Photodissociation threshold |
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
ia | Inactive |
sh | Shoulder |
p | Polarized |
dp | Depolarized |
CF | Calculated frequency |
SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
OV | Overlapped by band indicated in parentheses. |
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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