Adamantane
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
- IUPAC Standard InChIKey: ORILYTVJVMAKLC-UHFFFAOYSA-N
- CAS Registry Number: 281-23-2
- 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)]decane; Tricyclo(3,3,1,1,3,7)-decane; tricyclo[3.3.1.13,7]decane
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Gas phase thermochemistry data
Go To: Top, 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -32.12 ± 0.56 | kcal/mol | Ccb | Clark, Knox, et al., 1979 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -31.76 ± 0.32 kcal/mol; Gas flow technique for Hs, see Clark, Knox, et al., 1975; ALS |
| ΔfH°gas | -33.15 | kcal/mol | N/A | Baroody and Carpenter, 1972 | Value computed using ΔfHsolid° value of -193.8 kj/mol from Baroody and Carpenter, 1972 and ΔsubH° value of 55.1 kj/mol from Clark, Knox, et al., 1979.; DRB |
| ΔfH°gas | -31.93 ± 0.60 | kcal/mol | Ccb | Boyd, Sanwal, et al., 1971 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -30.65 ± 0.98 kcal/mol; ALS |
| ΔfH°gas | -30.8 ± 0.9 | kcal/mol | Ccb | Butler, Carson, et al., 1971 | ALS |
| ΔfH°gas | -32.96 ± 0.19 | kcal/mol | Ccr | Mansson, Rapport, et al., 1970 | ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 20.98 | 200. | Boyd R.H., 1971 | Selected values were obtained by force field calculation. One can expect the uncertainty in Cp(T) values to be about 10 J/mol*K if compare with the authors' results for bicyclo[2.2.1]heptane.; GT |
| 35.590 | 298.15 | ||
| 35.880 | 300. | ||
| 51.439 | 400. | ||
| 65.540 | 500. | ||
| 77.321 | 600. | ||
| 95.361 | 800. | ||
| 108.17 | 1000. |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Clark, Knox, et al., 1979
Clark, T.; Knox, T.M.O.; McKervey, M.A.; Mackle, H.; Rooney, J.J.,
Thermochemistry of bridged-ring substances. Enthalpies of formation of some diamondoid hydrocarbons and of perhydroquinacene. Comparisons with data from empirical force field calculations,
J. Am. Chem. Soc., 1979, 101, 2404-2410. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Clark, Knox, et al., 1975
Clark, T.; Knox, T.M.; Mackle, H.; McKervey, M.A.; Rooney, J.J.,
Calorimetric evaluation of enthalpies of formation of some bridged-ring hydrocarbons. Comparison with data from empirical force field calculations.,
J. Am. Chem. Soc., 1975, 97, 3835-3836. [all data]
Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A.,
Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [all data]
Boyd, Sanwal, et al., 1971
Boyd, R.H.; Sanwal, S.N.; Shary-Tehrany, S.; McNally, D.,
The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons,
J. Phys. Chem., 1971, 75, 1264-1271. [all data]
Butler, Carson, et al., 1971
Butler, R.S.; Carson, A.S.; Laye, P.G.; Steele, W.V.,
The enthalpy of formation of adamantane,
J. Chem. Thermodyn., 1971, 3, 277-280. [all data]
Mansson, Rapport, et al., 1970
Mansson, M.; Rapport, N.; Westrum, E.F., Jr.,
Enthalpies of formation of globular molecules. I. Adamantane and hexamethylenetetramine,
J. Am. Chem. Soc., 1970, 92, 7296-7299. [all data]
Boyd R.H., 1971
Boyd R.H.,
The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons,
J. Phys. Chem., 1971, 75, 1264-1271. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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