Chemical Properties of Adamantanol

InChI

InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2/t7-,8+,9-,10-

InChI Key

VLLNJDMHDJRNFK-CHIWXEEVSA-N

Formula

C10H16O

SMILES

OC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

152.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-304.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.82	kJ/mol	Joback Calculated Property
ΔvapH°	61.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-3.70		Relay (1.0) Calculated Property
logPoct/wat	1.948		Crippen Calculated Property
McVol	125.050	ml/mol	McGowan Calculated Property
Inp	1146.00		NIST
I	[1661.00; 1661.00]
I	1661.00		NIST
I	1661.00		NIST
Tfus	539.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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,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

Similar Compounds

Find more compounds similar to Adamantanol.

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.