Chemical Properties of 3-methyl-1-adamantanol

InChI

InChI=1S/C11H18O/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9,12H,2-7H2,1H3

InChI Key

PJBDPRVLKHVTCY-UHFFFAOYSA-N

Formula

C11H18O

SMILES

CC12CC3CC(C1)CC(O)(C3)C2

Molecular Weight¹

166.26

• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-342.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.11	kJ/mol	Joback Calculated Property
ΔvapH°	63.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
logPoct/wat	2.338		Crippen Calculated Property
McVol	139.140	ml/mol	McGowan Calculated Property
Pc	3419.86	kPa	Joback Calculated Property
Inp	[1283.00; 1331.00]
Inp	1283.00		NIST
Inp	1305.00		NIST
Inp	1317.00		NIST
Inp	1331.00		NIST
I	[1827.00; 1863.00]
I	1827.00		NIST
I	1845.00		NIST
I	1863.00		NIST
I	1827.00		NIST
Tboil	509.49	K	Relay (1.0) Calculated Property
Tc	759.66	K	Relay (1.0) Calculated Property
Tfus	394.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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,gas	[387.16; 473.82]	J/mol×K	[563.56; 776.36]
Cp,gas	387.16	J/mol×K	563.56	Joback Calculated Property
Cp,gas	403.85	J/mol×K	599.03	Joback Calculated Property
Cp,gas	419.30	J/mol×K	634.49	Joback Calculated Property
Cp,gas	433.76	J/mol×K	669.96	Joback Calculated Property
Cp,gas	447.50	J/mol×K	705.42	Joback Calculated Property
Cp,gas	460.76	J/mol×K	740.89	Joback Calculated Property
Cp,gas	473.82	J/mol×K	776.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-methyl-1-adamantanol.

Sources

• Cheméo Relay (1.0)
• 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.