1H-Cyclopropa[b]naphthalene
- Formula: C11H8
- Molecular weight: 140.1812
- IUPAC Standard InChI: InChI=1S/C11H8/c1-2-4-9-6-11-7-10(11)5-8(9)3-1/h1-6H,7H2
- IUPAC Standard InChIKey: SHKRKDNBUOUWRB-UHFFFAOYSA-N
- CAS Registry Number: 286-85-1
- 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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.03 | PE | Schulz, Schweig, et al., 1980 | LLK |
| 8.12 | PE | Lecoultre, Heilbronner, et al., 1988 | Vertical value; LL |
De-protonation reactions
C11H7- + =
By formula: C11H7- + H+ = C11H8
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1527. ± 9.2 | kJ/mol | G+TS | Antol, Glasovac, et al., 2003 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1496. ± 8.8 | kJ/mol | IMRE | Antol, Glasovac, et al., 2003 | gas phase; 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.
Schulz, Schweig, et al., 1980
Schulz, R.; Schweig, A.; Wentrup, C.; Winter, H.-W.,
2-Vinylidene-2H-indene,
Angew. Chem. Int. Ed. Engl., 1980, 19, 821. [all data]
Lecoultre, Heilbronner, et al., 1988
Lecoultre, J.; Heilbronner, E.; Muller, P.; Rodriguez, D.,
The influence of fluoro substituents on cyclopropa, -benzene, -naphthalene, and -anthracene,
Collect. Czech. Chem. Commun., 1988, 53, 2385. [all data]
Antol, Glasovac, et al., 2003
Antol, I.; Glasovac, Z.; Hare, M.C.; Eckert-Maksic, M.; Kass, S.R.,
On the acidity of cyclopropanaphthalenes - Gas phase and computational studies,
Int. J. Mass Spectrom., 2003, 222, 1-3, 11-26, https://doi.org/10.1016/S1387-3806(02)00953-3
. [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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