- Formula: C7H8
- Molecular weight: 92.1384
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: RSPZSDWVQWRAEF-UHFFFAOYSA-N
- CAS Registry Number: 2396-63-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: hepta-1,6-diyne
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Gas phase ion energetics data
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Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C7H8+ (ion structure unspecified)
Ionization energy determinations
|9.85 ± 0.01||PE||Traeger and McLoughlin, 1978||LLK|
|9.85 ± 0.01||PI||Traeger and McLoughlin, 1978||LLK|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C7H7+||9.85 ± 0.01||H||PI||Traeger and McLoughlin, 1978||LLK|
C7H7- + =
By formula: C7H7- + H+ = C7H8
|rH°||1575. ± 21.||kJ/mol||D-EA||Gunion, Karney, et al., 1996||gas phase; B|
Go To: Top, Gas phase ion energetics data, Notes
Traeger and McLoughlin, 1978
Traeger, J.C.; McLoughlin, R.G., A photoionization study of the energetics of C7H7+ ion formed from C7H8 precursors, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 319. [all data]
Gunion, Karney, et al., 1996
Gunion, R.F.; Karney, W.; Wenthold, P.G.; Borden, W.T.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of Some C7H7- Isomers: Quadricyclanide, Norbornadienide, Cycloheptatrienide, and 1,6-Heptadiynide, J. Am. Chem. Soc., 1996, 118, 21, 5074, https://doi.org/10.1021/ja954026f . [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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