Methyl formate
- Formula: C2H4O2
- Molecular weight: 60.0520
- IUPAC Standard InChI: InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
- IUPAC Standard InChIKey: TZIHFWKZFHZASV-UHFFFAOYSA-N
- CAS Registry Number: 107-31-3
- 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: Formic acid, methyl ester; Methyl methanoate; HCOOCH3; Formiate de methyle; Methylester kyseliny mravenci; Methylformiaat; Methylformiat; Mravencan methylnaty; UN 1243; Methyl ester of formic acid; Methanoic acid methyl ester
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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: 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 | 3045 | D | 3045 M | gas | 3030 | liq. | ||
| a' | 2 | CH3 s-str | 2969 | D | 2969 S | gas | 2955 p | liq. | ||
| a' | 3 | CH str | 2943 | D | 2943 S | gas | ||||
| a' | 4 | C=O str | 1754 | C | 1754 VS | gas | 1717 p | liq. | ||
| a' | 5 | CH3 d-deform | 1454 | D | 1454 W | solid solid | ||||
| a' | 6 | CH3 s-deform | 1445 | D | 1445 M | gas | ||||
| a' | 7 | CH bend | 1371 | D | 1371 W | gas | 1379 p | liq. | ||
| a' | 8 | C-O str | 1207 | C | 1207 VS | gas | 1207 | liq. | ||
| a' | 9 | CH3 rock | 1166 | D | 1166 VS | gas | 1157 | liq. | ||
| a' | 10 | O-CH3 str | 925 | C | 925 S | gas | 912 p | liq. | ||
| a' | 11 | OCO deform | 767 | C | 767 M | gas | 765 | liq. | ||
| a' | 12 | COC deform | 318 | D | 318 M | gas | ||||
| a | 13 | CH3 d-str | 3012 | D | 3012 M | gas | ||||
| a | 14 | CH3 d-deform | 1443 | E | 1443 W | solid solid | 1440 | liq. | ||
| a | 15 | CH3 rock | 1168 | D | 1168 M | gas | ||||
| a | 16 | CH bend | 1032 | C | 1032 M | gas | 1030 | liq. | ||
| a | 17 | C-O torsion | 332 | D | 332 M | gas | 332 p | liq. | ||
| a | 18 | CH3 torsion | 130 | D | 130 VW | gas | MW: ν132 | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| p | Polarized |
| MW | Torsional Frequency calculated from microwave spectroscopic data. |
| 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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