Chemical Properties of Diamantan-1-ol

InChI

InChI=1S/C14H20O/c15-14-6-8-2-10-9-1-7(4-12(10)14)5-13(14)11(9)3-8/h7-13,15H,1-6H2

InChI Key

ZTONXKOBHDGNKB-UHFFFAOYSA-N

Formula

C14H20O

SMILES

OC12CC3CC4C5CC(CC41)CC2C5C3

Molecular Weight¹

204.31

Other Names

• 1-diamantanol
• 1-hydroxydiamantane
• 3,5,1,7-[1,2,3,4]butanetetraylnaphthalen-1(2H)-ol, octahydro-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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
ΔfusH	9.60	kJ/mol	573.00	NIST
ΔsubH	[117.90; 118.00]	kJ/mol	[334.00; 334.00]
ΔsubH	118.00 ± 0.60	kJ/mol	334.00	NIST
ΔsubH	117.90 ± 0.59	kJ/mol	334.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.52; 684.49]	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			-2.82810e+02
Coefficient B			2.34430e+00
Coefficient C			-2.28200e-03
Coefficient D			9.05000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.52	J/mol×K	273.00	Calculated Property
Cp,gas	301.01	J/mol×K	353.78	Calculated Property
Cp,gas	379.25	J/mol×K	434.56	Calculated Property
Cp,gas	443.11	J/mol×K	515.33	Calculated Property
Cp,gas	495.45	J/mol×K	596.11	Calculated Property
Cp,gas	539.13	J/mol×K	676.89	Calculated Property
Cp,gas	577.01	J/mol×K	757.67	Calculated Property
Cp,gas	611.96	J/mol×K	838.44	Calculated Property
Cp,gas	646.83	J/mol×K	919.22	Calculated Property
Cp,gas	684.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Diamantan-1-ol.

Mixtures

• Diamantan-1-ol + Methyl Alcohol + Water

Sources

• 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
• Solubility of Diamantane, Trimantane, Tetramantane, and Their Derivatives in Organic Solvents
• Joback Method
• McGowan Method
• NIST Webbook

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