1-Adamantyl methyl ketone
- Formula: C12H18O
- Molecular weight: 178.2707
- 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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Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -298.3 ± 3.2 | kJ/mol | Ccb | Abboud, Jimenez, et al., 1992 |
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 |
Phase change 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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 84.2 ± 0.6 | kJ/mol | V | Abboud, Jimenez, et al., 1992 | ALS |
ΔsubH° | 84.2 ± 0.6 | kJ/mol | ME | Abboud, Jimenez, et al., 1992 | Based on data from 287. to 305. K.; AC |
IR Spectrum
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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
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-9169 |
NIST MS number | 239037 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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