2,4-Hexadiene

Formula: C₆H₁₀
Molecular weight: 82.1436
IUPAC Standard InChI: InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3
IUPAC Standard InChIKey: APPOKADJQUIAHP-UHFFFAOYSA-N
CAS Registry Number: 592-46-1
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Stereoisomers:
Other names: 1,4-Dimethylbutadiene; Bipropenyl; Dipropenyl; CH3CH=CHCH=CHCH3; Hexa-2,4-diene; cis,trans-hexa-2,4-diene
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Gas phase ion energetics data

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Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₆H₁₀⁺ (ion structure unspecified)

Ionization energy determinations

IE (eV)	Method	Reference	Comment
8.48 ± 0.05	EI	Franklin and Mogenis, 1967	RDSH
8.19	PE	Werstiuk, Clark, et al., 1990	Vertical value; LL
8.09 ± 0.03	PE	Heilbronner, Hoshi, et al., 1976	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₃H₃⁺	14.92 ± 0.03	?	EI	Franklin and Mogenis, 1967	RDSH
C₃H₅⁺	13.06 ± 0.02	?	EI	Franklin and Mogenis, 1967	RDSH
C₄H₂⁺	23.6 ± 0.2	?	EI	Franklin and Mogenis, 1967	RDSH
C₄H₃⁺	18.32 ± 0.04	?	EI	Franklin and Mogenis, 1967	RDSH
C₄H₄⁺	15.41 ± 0.08	?	EI	Franklin and Mogenis, 1967	RDSH
C₄H₅⁺	13.23 ± 0.05	?	EI	Franklin and Mogenis, 1967	RDSH
C₄H₆⁺	11.53 ± 0.07	?	EI	Franklin and Mogenis, 1967	RDSH
C₄H₇⁺	13.2 ± 0.1	?	EI	Franklin and Mogenis, 1967	RDSH
C₅H₅⁺	13.79 ± 0.04	?	EI	Franklin and Mogenis, 1967	RDSH
C₅H₇⁺	10.72 ± 0.05	CH₃	EI	Franklin and Mogenis, 1967	RDSH
C₆H₇⁺	13.42 ± 0.02	H₂+H	EI	Franklin and Mogenis, 1967	RDSH
C₆H₉⁺	10.95 ± 0.03	H	EI	Franklin and Mogenis, 1967	RDSH

References

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Franklin and Mogenis, 1967
Franklin, J.L.; Mogenis, A., An electron impact study of ions from several dienes, J. Phys. Chem., 1967, 71, 2820. [all data]

Werstiuk, Clark, et al., 1990
Werstiuk, N.H.; Clark, K.B.; Leigh, W.J., Conformational analysis and structure elucidation of 2,3-dimethyl and 2,4-dimethyl-2,4-hexadienes by AM1 and He(I) ultraviolet photoelectron spectroscopy, Can. J. Chem., 1990, 68, 2078. [all data]

Heilbronner, Hoshi, et al., 1976
Heilbronner, E.; Hoshi, T.; von Rosenberg, J.L.; Hafner, K., Alkyl-induced, natural hypsochromic shifts of the ²A←²X and ²B←²X transitions of azulene and naphthalene radical cations, Nouv. J. Chim., 1976, 1, 105. [all data]

Notes

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Symbols used in this document:

AE Appearance energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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