cis-1,3-Dimethylcycloheptane
- Formula: C9H18
- Molecular weight: 126.2392
- IUPAC Standard InChI: InChI=1S/C9H18/c1-8-5-3-4-6-9(2)7-8/h8-9H,3-7H2,1-2H3/t8-,9+
- IUPAC Standard InChIKey: PTWXFJWKUMXFLI-DTORHVGOSA-N
- CAS Registry Number: 13151-53-6
- 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 |
|---|---|---|---|
| 10.41 | EI | Herzschuh and Mitrach, 1992 | LL |
| 10.41 ± 0.05 | EI | Herzschuh and Sicker, 1981 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H13+ | 11.14 | C2H5 | EI | Herzschuh and Mitrach, 1992 | LL |
| C7H13+ | 11.14 ± 0.05 | C2H5 | EI | Herzschuh and Sicker, 1981 | LLK |
| C8H15+ | 10.91 | CH3 | EI | Herzschuh and Mitrach, 1992 | LL |
| C8H15+ | 10.91 ± 0.05 | CH3 | EI | Herzschuh and Sicker, 1981 | LLK |
Gas Chromatography
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Squalane | 70. | 920. | Schomburg, 1966 |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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]
Schomburg, 1966
Schomburg, G.,
Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe,
J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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