Cyclopropane, tris(methylene)-
- Formula: C6H6
- Molecular weight: 78.1118
- IUPAC Standard InChI: InChI=1S/C6H6/c1-4-5(2)6(4)3/h1-3H2
- IUPAC Standard InChIKey: UPWZWQGQRNPKTE-UHFFFAOYSA-N
- CAS Registry Number: 3227-90-5
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 94.6 ± 2.9 | kcal/mol | Ion | Bally, Baumgaertel, et al., 1978 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, References, Notes
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H6+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.0 ± 0.1 | S | Dorko, Scheps, et al., 1974 | LLK |
| 8.94 | PE | Bally and Haselbach, 1978 | Vertical value; LLK |
| 8.94 ± 0.02 | PE | Bieri, Burger, et al., 1977 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, 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, Baumgaertel, et al., 1978
Bally, T.; Baumgaertel, H.; Buechler, U.; Haselbach, E.; Lohr, W.; Maier, J.P.; Vogt, J.,
Tris(methylidene)cyclopropane ("[3]radialene"). Part 1. Enthalpy of formation and strain energy,
Helv. Chim. Acta, 1978, 61, 741-753. [all data]
Dorko, Scheps, et al., 1974
Dorko, E.A.; Scheps, R.; Rice, S.A.,
Comments on the ultraviolet spectrum and photophysical properties of trimethylenecyclopropane,
J. Phys. Chem., 1974, 78, 568. [all data]
Bally and Haselbach, 1978
Bally, T.; Haselbach, E.,
65. Tris(methylidene)- cyclopropane("[3]radialene"). Part 2. Electronic states of the molecular cation and revised uv.- absorption spectrum of the parent neutral,
Helv. Chim. Acta, 1978, 61, 754. [all data]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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