Adamantan-1-carboxylic acid, methyl ester
- Formula: C12H18O2
- Molecular weight: 194.2701
- IUPAC Standard InChI: InChI=1S/C12H18O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3
- IUPAC Standard InChIKey: CLYOOVNORYNXMD-UHFFFAOYSA-N
- CAS Registry Number: 711-01-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Adamantane-1-carboxylic acid, methyl ester; 1-Adamantanecarboxylic acid, methyl ester; Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, methyl ester
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Condensed phase thermochemistry data
Go To: Top, 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 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 | -138.1 ± 0.62 | kcal/mol | Ccb | Abboud, Jimenez, et al., 1992 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1605.4 ± 0.50 | kcal/mol | Ccb | Abboud, Jimenez, et al., 1992 | Corresponding ΔfHºsolid = -138.1 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 63.15 | 298.15 | Abboud, Jimenez, et al., 1992 | DH |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 200. | 1489. | Suslov, Rudenko, et al., 1988 | N2; Column length: 50. m; Column diameter: 0.25 mm |
| Packed | SE-30 | 140. | 1431. | Heintz, Gruselle, et al., 1976 | Chromosorb W (60-80 mesh); Column length: 2. m |
| Capillary | SE-30 | 145. | 1449. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
| Capillary | SE-30 | 160. | 1465. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
| Capillary | SE-30 | 175. | 1474. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
| Capillary | SE-30 | 190. | 1486. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 140. | 1858. | Heintz, Gruselle, et al., 1976 | Chromosorb W (60-80 mesh); Column length: 2. m |
| Capillary | Carbowax 20M | 145. | 1892. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
| Capillary | Carbowax 20M | 160. | 1914. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
| Capillary | Carbowax 20M | 175. | 1937. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
References
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, 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.M.; Jimenez, P.; Roux, M.V.; Turrion, C.; Lopez-Mardomingo, C.,
Structural effects on the thermochemical properties of organic compounds. III. Enthalpies of combustion, vapour pressures and enthalpies of sublimation, and standard enthalpies of formation in the gaseous phase, of adamantane-1-carboxylic acid methyl ester and of adamantane-1-carbonitrile,
J. Chem. Thermodyn., 1992, 24, 1299-1304. [all data]
Suslov, Rudenko, et al., 1988
Suslov, I.A.; Rudenko, B.A.; Arzamastsev, A.P.,
Capillary chromatography of adamantane derivatives,
Zh. Anal. Khim., 1988, 43, 328-332. [all data]
Heintz, Gruselle, et al., 1976
Heintz, M.; Gruselle, M.; Druilhe, A.; Lefort, D.,
Relations entre structure chimique et données de rétention en chromatographie en phase gaseuse. VI. Alcools et esters méthyliques de structures cycliques,
Chromatographia, 1976, 9, 8, 367-372, https://doi.org/10.1007/BF02330385
. [all data]
Burkhard, Vais, et al., 1969
Burkhard, J.; Vais, J.; Vodicka, L.; Landa, S.,
Adamantane and its derivatives. XVI. The gas chromatographic characterization of adamantane derivatives,
J. Chromatogr., 1969, 42, 207-218, https://doi.org/10.1016/S0021-9673(01)80617-8
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, 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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