1-Adamantyl methyl ketone
- Formula: C12H18O
- Molecular weight: 178.2707
- IUPAC Standard InChI: InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3
- IUPAC Standard InChIKey: DACIGVIOAFXPHW-UHFFFAOYSA-N
- CAS Registry Number: 1660-04-4
- 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: Ethanone, 1-tricyclo[3.3.1.1(3,7)-]dec-1-yl-; Ethanone, 1-tricyclo[3.3.1.13,7]dec-1-yl-; Ketone, 1-adamantyl methyl; 1-(1-Adamantyl)ethanone; 1-Acetyladamantane; Adamantyl methyl ketone; Methyl 1-adamantyl ketone; 1-Adamantan-1-yl-ethanone; Methyl adamantyl-1 ketone; 1-methyl adamantyl ketone; Adamantane, 1-acetyl; methyl tricyclo[3.3.1.13,7]dec-1-yl ketone
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Condensed phase thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -382.5 ± 3.1 | kJ/mol | Ccb | Abboud, Jimenez, et al., 1992 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -6912.1 ± 2.6 | kJ/mol | Ccb | Abboud, Jimenez, et al., 1992 | Corresponding ΔfHºsolid = -382.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 217.5 | 298.15 | Abboud, Jimenez, et al., 1992 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Abboud, Jimenez, et al., 1992
Abboud, J.-L.; Jimenez, P.; Roux, M.V.; Turrion, C.; Lopez-Mardingo, C.; Sanz, G.,
Structural effects on the thermochemical properties of carbonyl compounds. II. Enthalpies of combustion, vapour pressures and enthalpies of sublimation, and standard enthalpies of formation in the gaseous phase, of 1-adamantyl methyl ketone and of 1,1'-diadamantyl ketone,
J. Chem. Thermodyn., 1992, 24, 217-223. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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