2-Pentene, (E)- - The NIST WebBook

2-Pentene, (E)-

• Formula: C5H10
• Molecular weight: 70.1329
• IUPAC Standard InChI: InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+ Copy
• IUPAC Standard InChIKey: QMMOXUPEWRXHJS-HWKANZROSA-N Copy
• CAS Registry Number: 646-04-8
• 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)
• Stereoisomers:
  • 2-Pentene
  • 2-Pentene, (Z)-
• Other names: trans-2-Pentene; (E)-2-Pentene; trans-β-Amylene; 2-trans-Pentene; 2-(E)-C5H10; 2-Pentene, trans-; Pentene-2, trans-; trans-pent-2-ene
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
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  • Condensed phase thermochemistry data
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  • Gas Chromatography
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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 evaluated as indicated in comments: L - Sharon G. Lias

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

View reactions leading to C5H10+ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	9.04 ± 0.01	eV	N/A	N/A	L

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.04 ± 0.02	PE	Bieri, Burger, et al., 1977	LLK
9.036 ± 0.005	PE	Masclet, Grosjean, et al., 1973	LLK
8.92	EI	Lossing, 1972	LLK
9.32 ± 0.03	EI	Gross and Wilkins, 1971	LLK
9.06	EI	Collin and Lossing, 1959	RDSH
9.23 ± 0.01	PE	Krause, Taylor, et al., 1978	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C3H6+	11.73 ± 0.11	C2H4	EI	Gross and Wilkins, 1971	LLK
C4H7+	10.68	CH3	EI	Brand and Baer, 1984	LBLHLM
C4H7+	10.68	CH3	EI	Lossing, 1972	LLK
C4H7+	11.35 ± 0.03	CH3	EI	Gross and Wilkins, 1971	LLK

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bieri, Burger, et al., 1977 Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Masclet, Grosjean, et al., 1973 Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]

Lossing, 1972 Lossing, F.P., Free radicals by mass spectrometry. XLV. Ionization potentials and heats of formation of C3H3, C3H5, and C4H7 radicals and ions, Can. J. Chem., 1972, 50, 3973. [all data]

Gross and Wilkins, 1971 Gross, M.L.; Wilkins, C.L., Computer-assisted ion cyclotron resonance appearance potential measurements for C5H10 isomers, Anal. Chem., 1971, 43, 1624. [all data]

Collin and Lossing, 1959 Collin, J.; Lossing, F.P., Ionization potentials of some olefins, di-olefins and branched paraffins, J. Am. Chem. Soc., 1959, 81, 2064. [all data]

Krause, Taylor, et al., 1978 Krause, D.A.; Taylor, J.W.; Fenske, R.F., An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes, J. Am. Chem. Soc., 1978, 100, 718. [all data]

Brand and Baer, 1984 Brand, W.A.; Baer, T., Dissociation dynamics of energy-selected C5H10+ ions, J. Am. Chem. Soc., 1984, 106, 3154. [all data]

Notes

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• Symbols used in this document:

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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