2-Adamantanone
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChIKey: IYKFYARMMIESOX-UHFFFAOYSA-N
- CAS Registry Number: 700-58-3
- 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. - Other names: Tricyclo[3.3.1.1(3,7)]decanone; Adamantanone; 2-Adamantone; 2-Oxoadamantane; Adamantan-2-one; tricyclo[3.3.1.13,7]decan-2-one
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Phase change data
Go To: Top, Mass spectrum (electron ionization), References, Notes
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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 14.5 ± 0.05 | kcal/mol | GC | van Roon, Parsons, et al., 2002 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 15.9 ± 0.07 | kcal/mol | C | Bazyleva, Blokhin, et al., 2006 | AC |
ΔsubH° | 15.8 ± 0.2 | kcal/mol | ME | Bazyleva, Blokhin, et al., 2006 | Based on data from 280. to 333. K.; AC |
ΔsubH° | 18.2 ± 0.36 | kcal/mol | N/A | Miroshnichenko, Lebedev, et al., 2002 | See also Bazyleva, Blokhin, et al., 2006.; AC |
ΔsubH° | 19.2 ± 0.6 | kcal/mol | V | Arora and Steele, 1978 | ALS |
ΔsubH° | 19.2 ± 0.60 | kcal/mol | BG | Arora and Steele, 1978 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
2.813 | 557.5 | DSC | Bazyleva, Blokhin, et al., 2006 | AC |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, 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
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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 | Chemical Concepts |
NIST MS number | 156033 |
References
Go To: Top, Phase change data, 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.
van Roon, Parsons, et al., 2002
van Roon, André; Parsons, John R.; Govers, Harrie A.J.,
Gas chromatographic determination of vapour pressure and related thermodynamic properties of monoterpenes and biogenically related compounds,
Journal of Chromatography A, 2002, 955, 1, 105-115, https://doi.org/10.1016/S0021-9673(02)00200-5
. [all data]
Bazyleva, Blokhin, et al., 2006
Bazyleva, Ala B.; Blokhin, Andrey V.; Kabo, Gennady J.; Kabo, Andrey G.; Sevruk, Viktor M.,
Thermodynamic properties of 2-adamantanone in the condensed and ideal gaseous states,
Thermochimica Acta, 2006, 451, 1-2, 65-72, https://doi.org/10.1016/j.tca.2006.08.018
. [all data]
Miroshnichenko, Lebedev, et al., 2002
Miroshnichenko, E.A.; Lebedev, V.P.; Matyushin, Yu.N.,
Doklady Physical Chemistry, 2002, 382, 4/6, 40-42, https://doi.org/10.1023/A:1014499229527
. [all data]
Arora and Steele, 1978
Arora, M.; Steele, W.V.,
The standard enthalpies of formation of adamantanoid compounds 5. Adamantanols and adamantanone,
J. Chem. Thermodyn., 1978, 10, 403-407. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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