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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Reaction thermochemistry 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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Individual 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 |
+
=
By formula: C11H8 + CH4O = C12H12O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -198.4 ± 0.50 | kJ/mol | Cm | Billups, Chow, et al., 1973 | liquid phase; solvent: Methanol; ALS |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Billups, Chow, et al., 1973
Billups, W.E.; Chow, W.Y.; Leavell, K.H.; Lewis, E.S.; Margrave, J.L.; Sass, R.L.; Shieh, J.J.; Werness, P.G.; Wood, J.L.,
Structure and thermochemistry of benzocyclopropenes. Bond fixation and strain energy,
J. Am. Chem. Soc., 1973, 95, 7878-7880. [all data]
Notes
Go To: Top, Reaction thermochemistry 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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