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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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.
• 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
ΔfG°	56.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-200.22	kJ/mol	Joback Calculated Property
ΔfusH°	9.11	kJ/mol	Joback Calculated Property
ΔvapH°	54.06	kJ/mol	Joback Calculated Property
log10WS	-2.76		Crippen 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	1827.00		NIST
I	1845.00		NIST
I	1863.00		NIST
Tboil	563.56	K	Joback Calculated Property
Tc	776.36	K	Joback Calculated Property
Tfus	368.41	K	Joback Calculated Property
Vc	0.528	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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