1,5-Dihydropentalene
- Formula: C8H8
- Molecular weight: 104.1491
- IUPAC Standard InChI: InChI=1S/C8H8/c1-3-7-5-2-6-8(7)4-1/h1,3,5-6H,2,4H2
- IUPAC Standard InChIKey: GESVYKMBMUVRNT-UHFFFAOYSA-N
- CAS Registry Number: 33284-11-6
- Chemical structure:
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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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
View reactions leading to C8H8+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.86 | PE | Bally, Truttmann, et al., 1995 | LL |
De-protonation reactions
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 354.7 ± 4.3 | kcal/mol | G+TS | Kato, Gareyev, et al., 1998 | gas phase; Acid: bicyclo[3.3.0]octa-1(5),2,6-triene. Between MeSH, tBuSH.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 348.4 ± 4.2 | kcal/mol | IMRB | Kato, Gareyev, et al., 1998 | gas phase; Acid: bicyclo[3.3.0]octa-1(5),2,6-triene. Between MeSH, tBuSH.; B |
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.
Bally, Truttmann, et al., 1995
Bally, T.; Truttmann, L.; Wang, J.T.; Williams, F.,
Electronic structure and photochemical interconversions of dihydropentalene radical cations,
J. Am. Chem. Soc., 1995, 117, 7923. [all data]
Kato, Gareyev, et al., 1998
Kato, S.; Gareyev, R.; DePuy, C.H.; Bierbaum, V.M.,
Structures, energetics, and chemical reactions of anions derived from cyclooctatetraene,
J. Am. Chem. Soc., 1998, 120, 20, 5033-5042, https://doi.org/10.1021/ja972628o
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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