trans-Decalin, 2a-methyl
- Formula: C11H20
- Molecular weight: 152.2765
- IUPAC Standard InChI: InChI=1S/C11H20/c1-9-6-7-10-4-2-3-5-11(10)8-9/h9-11H,2-8H2,1H3/t9-,10+,11+/m0/s1
- IUPAC Standard InChIKey: GREARFRXIFVLGB-HBNTYKKESA-N
- CAS Registry Number: 4683-94-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: trans-2-Methyldecalin; trans-2-Methyl-decahydronaphthalene
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Condensed phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -6922. ± 2. | kJ/mol | Ccb | Kozina, Skuratov, et al., 1961 | Corresponding ΔfHºliquid = -265. kJ/mol (simple calculation by NIST; no Washburn corrections) |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.31 ± 0.006 | EI | Zaikin, Musaev, et al., 1978 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C10H17+ | 10.33 ± 0.009 | CH3 | EI | Zaikin, Musaev, et al., 1978 |
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 |
|---|---|---|---|---|---|
| Packed | OV-101 | 120. | 1144. | Litvinenko, Isakova, et al., 1988 | He, Chromaton W AW; Column length: 2.4 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1109. | Zhao, Zeng, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 50. C; Tend: 280. C |
References
Go To: Top, Condensed phase thermochemistry data, 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.
Kozina, Skuratov, et al., 1961
Kozina, M.P.; Skuratov, S.M.; Shtekher, S.M.; Sosnina, I.E.; Turova-Polyak, M.B.,
Heats of combustion of some bicyclanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1961, 35, 1144-1146. [all data]
Zaikin, Musaev, et al., 1978
Zaikin, V.G.; Musaev, I.A.; Kurashova, E.K.,
Ionization and appearance potentials in organic chemistry,
Org. Mass Spectrom., 1978, 13, 685. [all data]
Litvinenko, Isakova, et al., 1988
Litvinenko, G.S.; Isakova, L.A.; Rubanyk, N.N.,
Quantitative correlation between structure of stereoisomeric saturated cyclic compounds and gas-chromatographic retention indices. I. Methysubstituted,
Izv. AN Kaz. SSR, Ser. Khim., 1988, 5, 54-66. [all data]
Zhao, Zeng, et al., 2009
Zhao, C.; Zeng, Y.; Wan, M.; Li, R.; Liang, Y.; Li, C.; Zeng, Z.; Chau, F.-T.,
Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods,
J. Sep. Sci., 2009, 32, 4, 660-670, https://doi.org/10.1002/jssc.200800484
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy ΔcH°liquid Enthalpy of combustion of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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