Chemical Properties of Adamantane (CAS 281-23-2)

InChI

InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2

InChI Key

ORILYTVJVMAKLC-UHFFFAOYSA-N

Formula

C10H16

SMILES

C1C2CC3CC1CC(C2)C3

Molecular Weight¹

136.23

CAS

281-23-2

Other Names

• 4,7-methano-1H-indene, octahydro-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
• 4,7-methanoindan, hexahydro-, exo-
• JP-10
• Tricyclo(3,3,1,1,
• exo-3,4,8,9-tetrahydrodicyclopentadiene
• exo-5,6-trimethylenenorbornane
• exo-octahydro-4,7-methano-1H-indene
• exo-tetrahydrobicyclopentadiene
• exo-tetrahydrodicyclopentadiene
• exo-tricyclo[5.2.1.02,6]decane
• exo-trimethylenenorbornane
• jp10
• tricyclo[3.3.1.1(3,7)]decane

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-6033.40; -6024.50]	kJ/mol
ΔcH°solid	-6029.00 ± 4.00	kJ/mol	NIST
ΔcH°solid	-6033.10 ± 2.80	kJ/mol	NIST
ΔcH°solid	-6033.40 ± 3.30	kJ/mol	NIST
ΔcH°solid	-6024.50 ± 0.71	kJ/mol	NIST
ΔfH°gas	[-138.70; -129.00]	kJ/mol
ΔfH°gas	-134.40 ± 2.30	kJ/mol	NIST
ΔfH°gas	-138.70	kJ/mol	NIST
ΔfH°gas	-133.60 ± 2.50	kJ/mol	NIST
ΔfH°gas	-129.00 ± 4.00	kJ/mol	NIST
ΔfH°gas	-137.90 ± 0.79	kJ/mol	NIST
ΔfH°solid	[-197.20; -188.40]	kJ/mol
ΔfH°solid	-192.50 ± 0.40	kJ/mol	NIST
ΔfH°solid	-193.80	kJ/mol	NIST
ΔfH°solid	-188.70 ± 2.80	kJ/mol	NIST
ΔfH°solid	-188.40 ± 3.30	kJ/mol	NIST
ΔfH°solid	-197.20 ± 0.79	kJ/mol	NIST
ΔfusH°	3.09	kJ/mol	Redetermination of the thermodynamic properties of the solid solid transition of adamantane by adiabatic calorimetry to investigate the suitability as a reference material for low-temperature DSC-calibration
ΔsubH°	[52.60; 62.30]	kJ/mol
ΔsubH°	59.10	kJ/mol	NIST
ΔsubH°	Outlier 52.60	kJ/mol	NIST
ΔsubH°	58.50 ± 0.70	kJ/mol	NIST
ΔsubH°	58.45	kJ/mol	NIST
ΔsubH°	59.66	kJ/mol	NIST
ΔsubH°	58.10	kJ/mol	NIST
ΔsubH°	58.60	kJ/mol	NIST
ΔsubH°	60.00 ± 1.00	kJ/mol	NIST
ΔsubH°	55.10	kJ/mol	NIST
ΔsubH°	60.50 ± 1.30	kJ/mol	NIST
ΔsubH°	59.40	kJ/mol	NIST
ΔsubH°	54.80	kJ/mol	NIST
ΔsubH°	59.30 ± 0.20	kJ/mol	NIST
ΔsubH°	59.30	kJ/mol	NIST
ΔsubH°	59.50	kJ/mol	NIST
ΔsubH°	59.30 ± 0.16	kJ/mol	NIST
ΔsubH°	59.60	kJ/mol	NIST
ΔsubH°	62.30	kJ/mol	NIST
ΔvapH°	[48.20; 51.70]	kJ/mol
ΔvapH°	48.20	kJ/mol	NIST
ΔvapH°	51.70	kJ/mol	NIST
IE	[9.10; 9.75]	eV
IE	9.25 ± 0.04	eV	NIST
IE	9.20	eV	NIST
IE	9.25	eV	NIST
IE	9.23	eV	NIST
IE	9.10 ± 0.05	eV	NIST
IE	9.30 ± 0.10	eV	NIST
IE	9.31 ± 0.01	eV	NIST
IE	9.30 ± 0.01	eV	NIST
IE	9.22	eV	NIST
IE	9.25	eV	NIST
IE	9.75	eV	NIST
IE	9.28	eV	NIST
IE	9.75 ± 0.02	eV	NIST
IE	9.75	eV	NIST
IE	9.55	eV	NIST
logPoct/wat	2.833		Crippen Calculated Property
McVol	119.180	ml/mol	McGowan Calculated Property
Inp	[1076.00; 1153.00]
Inp	1121.00		NIST
Inp	1117.00		NIST
Inp	1120.00		NIST
Inp	1120.00		NIST
Inp	1136.90		NIST
Inp	1149.00		NIST
Inp	1116.00		NIST
Inp	1116.00		NIST
Inp	1116.00		NIST
Inp	1149.00		NIST
Inp	1135.30		NIST
Inp	1095.20		NIST
Inp	1113.00		NIST
Inp	1117.00		NIST
Inp	1120.00		NIST
Inp	1118.00		NIST
Inp	1116.00		NIST
Inp	1095.00		NIST
Inp	1104.00		NIST
Inp	1114.00		NIST
Inp	1116.00		NIST
Inp	1117.00		NIST
Inp	1120.00		NIST
Inp	1125.00		NIST
Inp	1120.00		NIST
Inp	1128.00		NIST
Inp	1131.00		NIST
Inp	1130.00		NIST
Inp	1095.00		NIST
Inp	1104.00		NIST
Inp	1114.00		NIST
Inp	1118.00		NIST
Inp	1132.00		NIST
Inp	1143.00		NIST
Inp	Outlier 1153.00		NIST
Inp	1123.00		NIST
Inp	1123.00		NIST
Inp	Outlier 1076.00		NIST
Inp	1118.00		NIST
Inp	1118.00		NIST
Inp	1144.00		NIST
Inp	Outlier 1076.00		NIST
Inp	1123.00		NIST
Ip	[1320.00; 1400.00]
Ip	1400.00		NIST
Ip	1325.00		NIST
Ip	1325.00		NIST
Ip	1363.00		NIST
Ip	1320.00		NIST
Ip	1339.00		NIST
Ip	1363.00		NIST
Ip	1400.00		NIST
Ip	1363.00		NIST
Ip	1400.00		NIST
Ip	1339.00		NIST
S°solid,1 bar	[195.83; 195.83]	J/mol×K
S°solid,1 bar	195.83	J/mol×K	NIST
S°solid,1 bar	195.83	J/mol×K	NIST
Tboil	471.37	K	Relay (1.0) Calculated Property
Tfus	[542.15; 552.00]	K
Tfus	542.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	552.00 ± 3.00	K	NIST
Tfus	542.15 ± 1.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[189.74; 189.74]	J/mol×K	[298.15; 298.15]
Cp,solid	189.74	J/mol×K	298.15	NIST
Cp,solid	189.74	J/mol×K	298.15	NIST
ΔfusH	[10.90; 13.80]	kJ/mol	[541.00; 543.20]
ΔfusH	10.90	kJ/mol	541.00	NIST
ΔfusH	10.90	kJ/mol	541.20	NIST
ΔfusH	13.80	kJ/mol	543.20	NIST
ΔsubH	[53.60; 59.70]	kJ/mol	[308.00; 413.00]
ΔsubH	58.30	kJ/mol	308.00	NIST
ΔsubH	59.70	kJ/mol	323.00	NIST
ΔsubH	59.70 ± 0.80	kJ/mol	323.00	NIST
ΔsubH	59.30 ± 0.20	kJ/mol	323.00	NIST
ΔsubH	59.70 ± 0.80	kJ/mol	323.00	NIST
ΔsubH	58.60 ± 0.60	kJ/mol	333.00	NIST
ΔsubH	53.60	kJ/mol	339.00	NIST
ΔsubH	55.30	kJ/mol	350.50	NIST
ΔsubH	59.50	kJ/mol	360.50	NIST
ΔsubH	54.30	kJ/mol	413.00	NIST
ΔvapH	48.50	kJ/mol	298.15	The vaporization enthalpy and vapor pressures of liquid adamantane, diamantane and alpha- and beta-cedrene by correlation gas chromatography
ρl	[880.32; 935.74]	kg/m3	[293.15; 363.15]
ρl	935.74	kg/m3	293.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρl	931.86	kg/m3	298.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρl	927.95	kg/m3	303.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρl	920.13	kg/m3	313.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρl	912.14	kg/m3	323.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρl	904.25	kg/m3	333.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρl	896.32	kg/m3	343.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρl	888.34	kg/m3	353.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρl	880.32	kg/m3	363.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.66; 482.89]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.56110e+02
Coefficient B			1.37040e+00
Coefficient C			-1.07900e-03
Coefficient D			3.47600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.66	J/mol×K	273.00	Calculated Property
Cp,gas	209.05	J/mol×K	353.78	Calculated Property
Cp,gas	264.17	J/mol×K	434.56	Calculated Property
Cp,gas	311.13	J/mol×K	515.33	Calculated Property
Cp,gas	351.01	J/mol×K	596.11	Calculated Property
Cp,gas	384.93	J/mol×K	676.89	Calculated Property
Cp,gas	413.97	J/mol×K	757.67	Calculated Property
Cp,gas	439.25	J/mol×K	838.44	Calculated Property
Cp,gas	461.86	J/mol×K	919.22	Calculated Property
Cp,gas	482.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Adamantane.

Mixtures

• Adamantane + Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl-
• Adamantane + Water

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• The vaporization enthalpy and vapor pressures of liquid adamantane, diamantane and alpha- and beta-cedrene by correlation gas chromatography
• Redetermination of the thermodynamic properties of the solid solid transition of adamantane by adiabatic calorimetry to investigate the suitability as a reference material for low-temperature DSC-calibration
• Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation
• Six-membered ring aliphatic compounds: A search for regularities in phase transitions
• Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
• Solubilities of Adamantane and Diamantane in Pressurized Hot Water
• Solubility of Adamantane in Phosphonium-Based Ionic Liquids
• Joback Method
• McGowan Method
• NIST Webbook

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