1-Propene, 2-methyl-
- Formula: C4H8
- Molecular weight: 56.1063
- IUPAC Standard InChIKey: VQTUBCCKSQIDNK-UHFFFAOYSA-N
- CAS Registry Number: 115-11-7
- 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: Propene, 2-methyl-; γ-Butylene; Isobutene; Isobutylene; Isopropylidenemethylene; 1,1-Dimethylethylene; 2-Methyl-1-propene; 2-Methylpropene; iso-C4H8; Methylpropene; UN 1055; 1,1-Dimethylethene; 2-Methylpropylene
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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 | CH2 s-str | 2989 | D | 2991 M | sln. | 2989 S p | liq. | ||
a1 | 2 | CH3 d-str | 2941 | C | 2940.8 | gas | 2930 W p | liq. | ||
a1 | 3 | CH3 s-str | 2911 | D | 2919 W | gas | 2911 S p | liq. | ||
a1 | 4 | C=C str | 1661 | C | 1661.1 S | gas | 1655 S p | liq. | ||
a1 | 5 | CH3 d-deform | 1470 | C | 1469.6 S | gas | 1462 VW | liq. | ||
a1 | 6 | CH2 scis | 1416 | D | 1419 W | sln. | 1416 S p | liq. | ||
a1 | 7 | CH3 s-deform | 1366 | D | 1366 VW p | liq. | ||||
a1 | 8 | CH3 rock | 1064 | C | 1063.9 S | gas | 1058 W p | liq. | ||
a1 | 9 | C-C str | 801 | C | 801 W | gas | 803 VS p | liq. | ||
a1 | 10 | C=CC2 ip-deform | 383 | D | 384 W | sln. | 383 W | liq. | ||
a2 | 11 | CH3 d-str | 2970 | D | ia | 2970 W p | liq. | OV(ν17) | ||
a2 | 12 | CH3 d-deform | 1459 | D | ia | 1459 VW | liq. | |||
a2 | 13 | CH3 rock | 1076 | E | ia | CF | ||||
a2 | 14 | CH2 twist | 981 | E | ia | CF | ||||
a2 | 15 | CH3 torsion | 193 | E | ia | CF | ||||
b1 | 16 | CH2 a-str | 3086 | C | 3086.0 S | gas | 3079 W dp | liq. | ||
b1 | 17 | CH3 d-str | 2980 | C | 2980.4 | gas | 2970 W dp | liq. | OV(ν11) | |
b1 | 18 | CH3 s-str | 2893 | C | 2892.9 W | gas | 2892 W dp | liq. | ||
b1 | 19 | CH3 d-deform | 1458 | C | 1458.4 S | gas | ||||
b1 | 20 | CH3 s-deform | 1381 | C | 1381.2 S | gas | 1386 W | liq. | ||
b1 | 21 | C-C str | 1282 | C | 1281.9 S | gas | 1281 W | liq. | ||
b1 | 22 | CH3 rock | 1043 | E | CF | |||||
b1 | 23 | CH2 rock | 974 | C | 973.7 W | gas | 972 VW | liq. | ||
b1 | 24 | C=CC2 ip-deform | 430 | D | 430 sh | sln. | ||||
b2 | 25 | CH3 d-str | 2945 | C | 2944.9 S | gas | ||||
b2 | 26 | CH3 d-deform | 1444 | C | 1443.7 S | gas | 1439 VW | liq. | ||
b2 | 27 | CH3 rock | 1079 | C | 1079.0 S | gas | ||||
b2 | 28 | CH2 wag | 890 | C | 889.7 VS | gas | 883 W dp | liq. | ||
b2 | 29 | C=CC2 op-deform | 429 | C | 429.1 S | gas | 431 W dp | liq. | ||
b2 | 30 | CH3 torsion | 196 | C | 196 VW | gas | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
sh | Shoulder |
p | Polarized |
dp | Depolarized |
CF | Calculated frequency |
OV | Overlapped by band indicated in parentheses. |
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
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