Acetaldehyde
- Formula: C2H4O
- Molecular weight: 44.0526
- IUPAC Standard InChI: InChI=1S/C2H4O/c1-2-3/h2H,1H3
- IUPAC Standard InChIKey: IKHGUXGNUITLKF-UHFFFAOYSA-N
- CAS Registry Number: 75-07-0
- 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: Acetic aldehyde; Ethanal; Ethyl aldehyde; CH3CHO; Acetaldehyd; Aldehyde acetique; Aldeide acetica; NCI-C56326; Octowy aldehyd; Acetylaldehyde; Rcra waste number U001; UN 1089; NSC 7594
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IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- GAS (180 mmHg PRESSURE); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (10% CCl4 FOR 2.6-7.5, 10% CS2 FOR 7.5-22); DOW KBr FOREPRISM-GRATING $$SPECTRAL CONTAMINATION DUE TO CCl4 AROUND 1550 CM-1 HAS BEEN SUBTRACTED; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
UV/Visible spectrum
Go To: Top, IR Spectrum, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | Fillet and Letort, 1956 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 12511 |
| Instrument | Beckman DU |
| Melting point | - 123 |
| Boiling point | 20.1 |
Vibrational and/or electronic energy levels
Go To: Top, IR Spectrum, UV/Visible spectrum, References, Notes
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 | 3005 | C | 3005 M | gas | 3001 W | liq. | ||
| a' | 2 | CH3 s-str | 2917 | D | 2917 S p | liq. | ||||
| a' | 3 | CH str | 2822 | C | 2822 M | gas | 2843 W p | liq. | ||
| a' | 4 | CO str | 1743 | C | 1743 VS | gas | 1714 S p | liq. | ||
| a' | 5 | CH3 d-deform | 1441 | C | 1441 S | gas | 1426 S | liq. | ||
| a' | 6 | CH bend | 1400 | C | 1400 S | gas | 1391 S | liq. | ||
| a' | 7 | CH3 s-deform | 1352 | C | 1352 S | gas | 1342 M | liq. | ||
| a' | 8 | CC str | 1113 | C | 1113 S | gas | 1109 M p | liq. | ||
| a' | 9 | CH3 rock | 919 | C | 919 M | gas | 911 M | liq. | ||
| a' | 10 | CCO deform | 509 | C | 509 S | gas | 512 S p | liq. | ||
| a | 11 | CH3 d-str | 2967 | C | 2967 M | gas | 2964 W | liq. | ||
| a | 12 | CH3 d-deform | 1420 | C | 1420 S | gas | 1426 S dp | liq. | ||
| a | 13 | CH3 rock | 867 | C | 867 M | gas | 885 M | liq. | ||
| a | 14 | CH bend | 763 | C | 763 W | gas | 767 M dp | liq. | ||
| a | 15 | Torsion | 150 | C | 150 W | gas | MW: ν150 ()A), ν148 ()E) | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| p | Polarized |
| dp | Depolarized |
| MW | Torsional Frequency calculated from microwave spectroscopic data. |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, IR Spectrum, UV/Visible spectrum, 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.
Fillet and Letort, 1956
Fillet, P.; Letort, M.,
J. Chim. Phis., 1956, 53, 8. [all data]
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, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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