Acetic acid
- Formula: C2H4O2
- Molecular weight: 60.0520
- IUPAC Standard InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
- IUPAC Standard InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
- CAS Registry Number: 64-19-7
- 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. - Isotopologues:
- Other names: Ethanoic acid; Ethylic acid; Glacial acetic acid; Methanecarboxylic acid; Vinegar acid; CH3COOH; Acetasol; Acide acetique; Acido acetico; Azijnzuur; Essigsaeure; Octowy kwas; Acetic acid, glacial; Kyselina octova; UN 2789; Aci-jel; Shotgun; Ethanoic acid monomer; NSC 132953
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- Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 79
- Henry's Law data
- Gas phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- UV/Visible spectrum
- Gas Chromatography
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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 | OH str | 3583 | B | 3583 M | gas | ||||
| a' | 2 | CH3 d-str | 3051 | B | 3051 VW | gas | ||||
| a' | 3 | CH3 s-str | 2944 | B | 2944 VW | gas | ||||
| a' | 4 | C=O str | 1788 | B | 1788 VS | gas | ||||
| a' | 5 | CH3 d-deform | 1430 | C | 1430 sh | gas | SF(ν14) | |||
| a' | 6 | CH3 s-deform | 1382 | B | 1382 M | gas | ||||
| a' | 7 | OH bend | 1264 | B | 1264 M | gas | ||||
| a' | 8 | C-O str | 1182 | B | 1182 S | gas | ||||
| a' | 9 | CH3 rock | 989 | B | 989 M | gas | ||||
| a' | 10 | CC str | 847 | B | 847 W | gas | ||||
| a' | 11 | OCO deform | 657 | B | 657 S | gas | ||||
| a' | 12 | CCO deform | 581 | B | 581 M | gas | ||||
| a | 13 | CH3 d-str | 2996 | B | 2996 VW | gas | ||||
| a | 14 | CH3 d-deform | 1430 | C | 1430 sh | gas | SF(ν5) | |||
| a | 15 | CH3 rock | 1048 | B | 1048 W | gas | ||||
| a | 16 | C=O op-bend | 642 | B | 642 S | gas | ||||
| a | 17 | C-O torsion | 534 | B | 534 M | gas | ||||
| a | 18 | CH3 torsion | 93 | E | CF | |||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| sh | Shoulder |
| CF | Calculated frequency |
| SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 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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