Methyl Alcohol
- Formula: CH4O
- Molecular weight: 32.0419
- IUPAC Standard InChI: InChI=1S/CH4O/c1-2/h2H,1H3
- IUPAC Standard InChIKey: OKKJLVBELUTLKV-UHFFFAOYSA-N
- CAS Registry Number: 67-56-1
- 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: Methanol; Carbinol; Methyl hydroxide; Methylol; Monohydroxymethane; Wood alcohol; CH3OH; Colonial spirit; Columbian spirit; Hydroxymethane; Wood naphtha; Alcool methylique; Alcool metilico; Columbian spirits; Metanolo; Methylalkohol; Metylowy alkohol; Pyroxylic spirit; Wood spirit; Rcra waste number U154; UN 1230; Pyro alcohol; Spirit of wood; Bieleski's solution; NSC 85232
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- Gas phase thermochemistry data
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- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300
- Henry's Law data
- Gas phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- Gas Chromatography
- Fluid Properties
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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
Gas 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 | 3681 | A | 3681 M | gas | ||||
| a' | 2 | CH3 d-str | 3000 | C | 3000 M | gas | ||||
| a' | 3 | CH3 s-str | 2844 | A | 2844 S | gas | ||||
| a' | 4 | CH3 d-deform | 1477 | B | 1477 M | gas | OV(ν10) | |||
| a' | 5 | CH3 s-deform | 1455 | A | 1455 M | gas | ||||
| a' | 6 | OH bend | 1345 | B | 1345 S | gas | ||||
| a' | 7 | CH3 rock | 1060 | D | 1060 W | gas | OV(ν8) | |||
| a' | 8 | CO str | 1033 | A | 1033 VS | gas | 1032 | gas | ||
| a | 9 | CH3 d-str | 2960 | C | 2960 S | gas | 2955 | gas | ||
| a | 10 | CH3 d-deform | 1477 | B | 1477 M | gas | OV(ν4) | |||
| a | 11 | CH3 rock | 1165 | C | 1165 | liq. | ||||
| a | 12 | Torsion | 295 | A | 80~300 | gas | ?/? Value of ν12 is undefined because of large coupling between internal & overall rotations. | |||
| a | 12 | Torsion | 200 | E | 80~300 | gas | ?/? Value of ν12 is undefined because of large coupling between internal & overall rotations. | |||
Source: Shimanouchi, 1972
Liquid 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 | 3328 | D | 3328 vb | liq. | 3270-3480 | liq. | ||
| a' | 2 | CH3 d-str | 2980 | C | 2980 M | liq. | 2993 | liq. | ||
| a' | 3 | CH3 s-str | 2834 | C | 2834 S | liq. | 2834 | liq. | ||
| a' | 4 | CH3 d-deform | 1480 | C | 1480 M | liq. | 1464 | liq. | OV(ν10) | |
| a' | 5 | CH3 s-deform | 1450 | C | 1450 M | liq. | ||||
| a' | 6 | OH bend | 1418 | C | 1418 M b | liq. | ||||
| a' | 7 | CH3 rock | 1115 | C | 1115 M | liq. | 1107 | liq. | ||
| a' | 8 | CO str | 1030 | C | 1030 VS | liq. | 1033 | liq. | ||
| a | 9 | CH3 d-str | 2946 | C | 2946 S | liq. | 2940 | liq. | ||
| a | 10 | CH3 d-deform | 1480 | C | 1480 M | liq. | 1464 | liq. | OV(ν4) | |
| a | 11 | CH3 rock | 1165 | C | 1165 | liq. | ||||
| a | 12 | Torsion | 655 | D | 655 vb | liq. | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| b | Broad |
| vb | Very broad |
| OV | Overlapped by band indicated in parentheses. |
| A | 0~1 cm-1 uncertainty |
| 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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