Chemical Properties of 2-Methyl-2-adamantanol

InChI

InChI=1S/C11H18O/c1-11(12)9-3-7-2-8(5-9)6-10(11)4-7/h7-10,12H,2-6H2,1H3

InChI Key

JKOZWMQUOWYZAB-UHFFFAOYSA-N

Formula

C11H18O

SMILES

CC1(O)C2CC3CC(C2)CC1C3

Molecular Weight¹

166.26

Other Names

• Tricyclo(3.3.1.1(3,7))decan-2-ol, 2-methyl-
• 2-Adamantanol, 2-methyl-

• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-309.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.48	kJ/mol	Joback Calculated Property
ΔsubH°	[91.30; 91.40]	kJ/mol
ΔsubH°	91.30 ± 0.80	kJ/mol	NIST
ΔsubH°	91.40 ± 0.30	kJ/mol	NIST
IE	9.22	eV	NIST
logPoct/wat	2.194		Crippen Calculated Property
McVol	139.140	ml/mol	McGowan Calculated Property
Inp	[1348.00; 1394.00]
Inp	1348.00		NIST
Inp	1366.00		NIST
Inp	1381.00		NIST
Inp	1394.00		NIST
Inp	1348.00		NIST
Inp	1348.00		NIST
I	[1878.00; 1920.00]
I	1878.00		NIST
I	1878.00		NIST
I	1899.00		NIST
I	1920.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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,gas	[389.42; 479.41]	J/mol×K	[558.65; 763.23]
Cp,gas	389.42	J/mol×K	558.65	Joback Calculated Property
Cp,gas	406.85	J/mol×K	592.75	Joback Calculated Property
Cp,gas	423.10	J/mol×K	626.84	Joback Calculated Property
Cp,gas	438.33	J/mol×K	660.94	Joback Calculated Property
Cp,gas	452.69	J/mol×K	695.04	Joback Calculated Property
Cp,gas	466.33	J/mol×K	729.14	Joback Calculated Property
Cp,gas	479.41	J/mol×K	763.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-2-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.
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