Adamantane-1-carboxylic acid
- Formula: C11H16O2
- Molecular weight: 180.2435
- IUPAC Standard InChI: InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)
- IUPAC Standard InChIKey: JIMXXGFJRDUSRO-UHFFFAOYSA-N
- CAS Registry Number: 828-51-3
- 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: Tricyclo[3.3.1.13,7]-decane-1-carboxylic acid; 1-Adamantanecarboxylic acid; Adamantoic acid; 1-Carboxyadamantane; 3-Adamantanecarboxylic acid; 2-Adamantane-1-carboxylic acid; 1-Adamantane-1-carboxylic acid; Adamantanecarboxylic acid; Adamantylcarboxylic acid; tricyclo(3.3.1.1'3,7)decane-1-carboxylic acid
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -153.70 | kcal/mol | Ccb | Steele, Carson, et al., 1973 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1427.38 ± 0.86 | kcal/mol | Ccb | Steele, Carson, et al., 1973 | Corresponding ΔfHºsolid = -153.70 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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 by: William E. Acree, Jr., James S. Chickos
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 0.538 | 524.2 | DSC | Harvey, Gilson, et al., 1986 |
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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PMS-1000 | 1433. | Kurbatova, Kolosova, et al., 2000 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 2118. | Kurbatova, Kolosova, et al., 2000 | Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Steele, Carson, et al., 1973
Steele, W.V.; Carson, A.S.; Laye, P.G.; Rosser, C.A.,
Enthalpies of formation of adamantanoid compounds. Part 3.-Adamantanecarboxylic acids,
J. Chem. Soc. Faraday Trans. 1, 1973, 69, 1257-1260. [all data]
Harvey, Gilson, et al., 1986
Harvey, Pierre D.; Gilson, D.F.R.; Butler, I.S.,
Phase transitions in adamantane derivatives: adamantanecarboxylic acid,
J. Phys. Chem., 1986, 90, 1, 136-139, https://doi.org/10.1021/j100273a031
. [all data]
Kurbatova, Kolosova, et al., 2000
Kurbatova, S.; Kolosova, E.; Solovova, N.; Finkelshtein, E.; Zemtsova, M.,
Gas-chromatographic investigation of adamantane oxygen derivatives,
Vestn. Samara State Univ., 2000, 4, 18, 167-172. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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