2-Propenal
- Formula: C3H4O
- Molecular weight: 56.0633
- IUPAC Standard InChI: InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
- IUPAC Standard InChIKey: HGINCPLSRVDWNT-UHFFFAOYSA-N
- CAS Registry Number: 107-02-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Acrolein; Acrylaldehyde; Acrylic Aldehyde; Allyl aldehyde; Aqualin; NSC 8819; Prop-2-En-1-al; Propenal; 2-Propen-1-one; CH2=CHCHO; Acraldehyde; Acraldehydeacroleina; Acroleine; Acrylaldehyd; Akrolein; Akroleina; Aldehyde acrylique; Aldeide acrilica; Aqualine; Crolean; Ethylene aldehyde; Magnacide H; Propylene aldehyde; Slimicide; Acroleina; Magnacide; Rcra waste number P003; UN 1092; 2-Propenaldehyde; (E)-2-propenal
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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 NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1333, 10% IN CS2 FOR 1333-450 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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 | Cottee and Timmons, 1966 |
|---|---|
| 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. 19941 |
| Instrument | Unicam SP 700 |
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 | CH2 a-str | 3103 | C | 3103 M | gas | ||||
| a' | 2 | CH(beta) str | 3028 | D | 3028 M | sln. | ||||
| a' | 3 | CH2 s-str | 3000 | D | 3000 M | gas | ||||
| a' | 4 | CH(alpha) str | 2800 | C | 2800 S | gas | ||||
| a' | 5 | CO str | 1724 | C | 1724 VS | gas | ||||
| a' | 6 | C=C str | 1625 | C | 1625 M | gas | ||||
| a' | 7 | CH2 scis | 1420 | C | 1420 S | gas | ||||
| a' | 8 | CH(alpha) ip-bend | 1360 | C | 1360 M | gas | ||||
| a' | 9 | CH(beta) ip-bend | 1275 | C | 1275 W | gas | ||||
| a' | 10 | C-C str | 1158 | C | 1158 S | gas | ||||
| a' | 11 | CH2 rock | 912 | C | 912 S | gas | ||||
| a' | 12 | CCO deform | 564 | C | 564 M | gas | ||||
| a' | 13 | CCC bend | 327 | C | 327 M | gas | ||||
| a | 14 | CH(beta) op-bend | 993 | B | 993 S | gas | ||||
| a | 15 | CH(alpha) op-bend | 980 | E | CF | |||||
| a | 16 | CH2 wag | 959 | B | 959 S | gas | ||||
| a | 17 | CH2 twist | 593 | C | 593 S | gas | ||||
| a | 18 | CC torsion | 157 | C | 157 M | gas | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| CF | Calculated frequency |
| 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, 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.
Cottee and Timmons, 1966
Cottee, F.H.; Timmons, C.J.,
UV atlas of organic compounds, 1966, 1, B3/8. [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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