2-Hexenal
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChI: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3
- IUPAC Standard InChIKey: MBDOYVRWFFCFHM-UHFFFAOYSA-N
- CAS Registry Number: 505-57-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: 2-Hexen-1-al; n-C3H7CH=CHCHO; Hex-2-enal; Hex-2-en-1-al; Hexylenic aldehyde; Leaf aldehyde
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Gas phase ion energetics data
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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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H10O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.65 | PE | Masclet and Mouvier, 1978 | LLK |
IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | WESTERN REGIONAL RES. USDA |
| Source reference | COBLENTZ NO. 6166 |
| Date | 1964/05/26 |
| Name(s) | (2E)-2-hexenal |
| State | SOLUTION (10% IN CCl4 FOR 4000-1330 CM-1, 10% IN CS2 FOR 1330-600 CM-1) |
| Instrument | BECKMAN IR-7 (GRATING) |
| Instrument parameters | GRATING CHANGES AT 3000, 2200, 1150 CM-1 |
| Path length | .011 CM, .010 CM |
| Resolution | 4 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS) |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Masclet and Mouvier, 1978
Masclet, P.; Mouvier, G.,
Etude par spectrometrie photoelectronique d'aldehydes et de cetones ethyleniques conjugues,
J. Electron Spectrosc. Relat. Phenom., 1978, 14, 77. [all data]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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