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
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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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Condensed phase thermochemistry data

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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
Δ_fH°_solid	-192.5 ± 0.4	kJ/mol	Ccb	Clark, Knox, et al., 1979	Gas flow technique for Hs, see Clark, Knox, et al., 1975; ALS
Δ_fH°_solid	-193.8	kJ/mol	Ccb	Baroody and Carpenter, 1972	ALS
Δ_fH°_solid	-188.7 ± 2.8	kJ/mol	Ccb	Boyd, Sanwal, et al., 1971	ALS
Δ_fH°_solid	-188.4 ± 3.3	kJ/mol	Ccb	Butler, Carson, et al., 1971	ALS
Δ_fH°_solid	-197.2 ± 0.79	kJ/mol	Ccr	Mansson, Rapport, et al., 1970	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-6029. ± 4.	kJ/mol	Ccb	Clark, Knox, et al., 1979	Gas flow technique for Hs, see Clark, Knox, et al., 1975; Corresponding Δ_fHº_solid = -192.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_solid	-6033.1 ± 2.8	kJ/mol	Ccb	Boyd, Sanwal, et al., 1971	Corresponding Δ_fHº_solid = -188.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_solid	-6033.4 ± 3.3	kJ/mol	Ccb	Butler, Carson, et al., 1971	Corresponding Δ_fHº_solid = -188.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_solid	-6024.50 ± 0.71	kJ/mol	Ccr	Mansson, Rapport, et al., 1970	Corresponding Δ_fHº_solid = -197.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	195.83	J/mol*K	N/A	Westrum, 1961	crystaline, I phase; DH
S°_{solid,1 bar}	195.83	J/mol*K	N/A	Chang and Westrum, 1960	crystaline, I phase; DH

Constant pressure heat capacity of solid

C_p,solid (J/mol*K)	Temperature (K)	Reference	Comment
189.74	298.15	Westrum, 1961	crystaline, I phase; T = 5 to 350 K. Only values at 298.15 K given.; DH
189.74	298.15	Chang and Westrum, 1960	crystaline, I phase; T = 5 to 350 K.; DH

References

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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]

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]

Westrum, 1961
Westrum, E.F., Jr., The thermophysical properties of three globular molecules, J. Phys. Chem. Solids, 1961, 18, 83-85. [all data]

Chang and Westrum, 1960
Chang, S.-S.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. I. Adamantane and hexamethylenetetramine, J. Phys. Chem., 1960, 64, 1547-1551. [all data]

Notes

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Symbols used in this document:

C_p,solid	Constant pressure heat capacity of solid
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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