trans-1,2-Dimethylcycloheptane
- Formula: C9H18
- Molecular weight: 126.2392
- IUPAC Standard InChI: InChI=1S/C9H18/c1-8-6-4-3-5-7-9(8)2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
- IUPAC Standard InChIKey: CLYDEJQPKBFLJW-IUCAKERBSA-N
- CAS Registry Number: 13151-50-3
- 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:
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 |
|---|---|---|---|
| 10.31 | EI | Herzschuh and Mitrach, 1992 | LL |
| 10.31 ± 0.05 | EI | Herzschuh and Sicker, 1981 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H13+ | 10.96 | C2H5 | EI | Herzschuh and Mitrach, 1992 | LL |
| C7H13+ | 10.96 ± 0.05 | C2H5 | EI | Herzschuh and Sicker, 1981 | LLK |
| C8H15+ | 10.85 | CH3 | EI | Herzschuh and Mitrach, 1992 | LL |
| C8H15+ | 10.85 ± 0.05 | CH3 | EI | Herzschuh and Sicker, 1981 | LLK |
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.
Herzschuh and Mitrach, 1992
Herzschuh, R.; Mitrach, K.,
Zum Einfluss stereochemisch bedingter Enthalpieunterschiede auf die elektronenstossinduzierte Fragmentierung isomerer Dimethylcycloheptane,
J. Prakt. Chem., 1992, 334, 135. [all data]
Herzschuh and Sicker, 1981
Herzschuh, R.; Sicker, A.,
Stereochemische einflusse auf die ionisations- und auftrittsenergien cis/trans-isomerer dimethylcycloalkane,
Z. Chem., 1981, 21, 409. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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