1,3,5-Hexatriene
- Formula: C6H8
- Molecular weight: 80.1277
- IUPAC Standard InChI: InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2
- IUPAC Standard InChIKey: AFVDZBIIBXWASR-UHFFFAOYSA-N
- CAS Registry Number: 2235-12-3
- 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. - Stereoisomers:
- Other names: Hexa-1,3,5-triene; Hexatriene; Divinylethylene; hexa-1,3,5-triene, mixed isomers
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Gas phase ion energetics data
Go To: Top, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C6H8+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.42 ± 0.05 | EI | Franklin and Carroll, 1969 |
| 8.27 ± 0.05 | S | Price, 1946 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H2+ | 16.46 ± 0.15 | C2H2+2H2 | EI | Franklin and Carroll, 1969 | |
| C4H3+ | 16.54 ± 0.15 | C2H2+H2+H? | EI | Franklin and Carroll, 1969 | |
| C4H4+ | 12.82 ± 0.10 | C2H2+H2 | EI | Franklin and Carroll, 1969 | |
| C4H5+ | 13.60 ± 0.10 | C2H2+H | EI | Franklin and Carroll, 1969 | |
| C4H6+ | 12.25 ± 0.30 | C2H2 | EI | Franklin and Carroll, 1969 | |
| C5H3+ | 14.95 ± 0.15 | CH3+H2? | EI | Franklin and Carroll, 1969 | |
| C5H5+ | 12.25 ± 0.10 | CH3 | EI | Franklin and Carroll, 1969 | |
| C6H5+ | 13.11 ± 0.10 | H2+H | EI | Franklin and Carroll, 1969 | |
| C6H6+ | 10.77 ± 0.10 | H2 | EI | Franklin and Carroll, 1969 | |
| C6H7+ | 9.96 ± 0.15 | H | EI | Franklin and Carroll, 1969 |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Franklin and Carroll, 1969
Franklin, J.L.; Carroll, S.R.,
Effect of molecular structure on ionic decomposition. II. An electron-impact study of 1,3-and 1,4-cyclohexadiene and 1,3,5-hexatriene,
J. Am. Chem. Soc., 1969, 91, 6564. [all data]
Price, 1946
Price, W.C.,
The absorption spectra of hexatriene and divinyl acetylene in the vacuum ultraviolet,
Proc. Roy. Soc. (London) Al, 1946, 85, 182. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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