Chemical Properties of 1-Adamantanol (CAS 768-95-6)

InChI

InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

InChI Key

VLLNJDMHDJRNFK-UHFFFAOYSA-N

Formula

C10H16O

SMILES

OC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

152.23

CAS

768-95-6

Other Names

• 1-Adamantol
• 1-Adamantyl alcohol
• 1-Hydroxyadamantane
• Adamantan-1-ol
• Adamantol-(1)
• NSC 108837
• NSC 91633
• Tricyclo(3.3.1.1(3,7))-n-decanol
• tricyclo[3.3.1.1(3,7)]decan-1-ol
• tricyclo[3.3.1.13,7]decan-1-ol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5824.00 ± 3.00	kJ/mol	NIST
ΔfG°	53.45	kJ/mol	Joback Calculated Property
ΔfH°gas	[-311.00; -311.00]	kJ/mol
ΔfH°gas	-311.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	-311.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-397.00 ± 3.00	kJ/mol	NIST
ΔfusH°	12.82	kJ/mol	Joback Calculated Property
ΔsubH°	[86.00; 87.00]	kJ/mol
ΔsubH°	86.80 ± 0.20	kJ/mol	NIST
ΔsubH°	86.70 ± 0.20	kJ/mol	NIST
ΔsubH°	87.00 ± 3.00	kJ/mol	NIST
ΔsubH°	86.00	kJ/mol	NIST
ΔsubH°	86.60 ± 2.50	kJ/mol	NIST
ΔvapH°	60.80	kJ/mol	NIST
IE	[9.09; 9.23]	eV
IE	9.09 ± 0.05	eV	NIST
IE	9.23	eV	NIST
log10WS	-2.34		Crippen Calculated Property
logPoct/wat	1.948		Crippen Calculated Property
McVol	125.050	ml/mol	McGowan Calculated Property
Pc	3633.35	kPa	Joback Calculated Property
Inp	[1268.00; 1341.00]
Inp	1280.00		NIST
Inp	1270.00		NIST
Inp	1333.00		NIST
Inp	1270.00		NIST
Inp	1333.00		NIST
Inp	1311.00		NIST
Inp	1268.00		NIST
Inp	1292.00		NIST
Inp	1301.00		NIST
Inp	1313.00		NIST
Inp	1268.00		NIST
Inp	1268.00		NIST
Inp	1320.00		NIST
Inp	1332.00		NIST
Inp	1341.00		NIST
Inp	1268.00		NIST
Inp	1270.00		NIST
Inp	1333.00		NIST
Inp	1280.00		NIST
Inp	1311.00		NIST
I	[1775.00; 1775.00]
I	1775.00		NIST
I	1775.00		NIST
I	1775.00		NIST
I	1775.00		NIST
Tboil	540.44	K	Joback Calculated Property
Tc	748.34	K	Joback Calculated Property
Tfus	554.20 ± 0.00	K	NIST
Vc	0.474	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.80; 423.72]	J/mol×K	[540.44; 748.34]
Cp,gas	339.80	J/mol×K	540.44	Joback Calculated Property
Cp,gas	356.31	J/mol×K	575.09	Joback Calculated Property
Cp,gas	371.60	J/mol×K	609.74	Joback Calculated Property
Cp,gas	385.82	J/mol×K	644.39	Joback Calculated Property
Cp,gas	399.13	J/mol×K	679.04	Joback Calculated Property
Cp,gas	411.71	J/mol×K	713.69	Joback Calculated Property
Cp,gas	423.72	J/mol×K	748.34	Joback Calculated Property
ΔfusH	[2.50; 12.36]	kJ/mol	[369.20; 552.90]
ΔfusH	2.50	kJ/mol	369.20	NIST
ΔfusH	12.36	kJ/mol	552.90	NIST
ΔvapH	74.80	kJ/mol	298.00	Evaluat...
ΔfusS	6.80	J/mol×K	369.20	NIST

Similar Compounds

Find more compounds similar to 1-Adamantanol.

Sources

• Crippen Method
• Crippen Method
• Evaluation of vaporization enthalpies and liquid vapor pressures of cedrol, nerolidol, and 1-adamantanol by correlation gas chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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