- Formula: C14H18
- Molecular weight: 186.2927
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: YSZLFGZFQTTZIQ-UHFFFAOYSA-N
- CAS Registry Number: 5325-97-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 1,2,3,4,5,6,7,8-Octahydrophenanthrene; Octahydrophenanthrene; Octahydrophenanthrene, symm.; 1,2,3,4,5,6,7,8-0ctahydrophenanthrene
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
|Proton affinity (review)||202.2||kcal/mol||N/A||Hunter and Lias, 1998||HL|
|Gas basicity||194.9||kcal/mol||N/A||Hunter and Lias, 1998||HL|
Proton affinity at 298K
|Proton affinity (kcal/mol)||Reference||Comment|
|200.5||Aue, Guidoni, et al., 2000||Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM|
Gas basicity at 298K
|Gas basicity (review) (kcal/mol)||Reference||Comment|
|194.1||Aue, Guidoni, et al., 2000||Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM|
Ionization energy determinations
|7.89 ± 0.05||EQ||Mautner(Meot-Ner), 1980||LLK|
|8.79 ± 0.02||EI||Meier, Heiss, et al., 1968||RDSH|
Go To: Top, Gas phase ion energetics data, Notes
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]
Aue, Guidoni, et al., 2000
Aue, D.H.; Guidoni, M.; Betowski, L.D., Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons, Int. J. Mass Spectrom., 2000, 201, 283. [all data]
Mautner(Meot-Ner), M., Ion thermochemistry of low volatility compounds in the gas phase. 3. Polycyclic aromatics: Ionization energies, proton, and hydrogen affinities. Extrapolations to graphite, J. Phys. Chem., 1980, 84, 2716. [all data]
Meier, Heiss, et al., 1968
Meier, H.; Heiss, J.; Suhr, H.; Muller, E., Energetische Untersuchungen zum Mills-Nixon-Effekt. Ionisierungsenergien von Benzolmolekulen mit ankondensierten gesattigten Ringen, Tetrahedron, 1968, 24, 2307. [all data]
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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