Chemical Properties of 2-isobutyl-2-adamantanol

InChI

InChI=1S/C14H24O/c1-9(2)8-14(15)12-4-10-3-11(6-12)7-13(14)5-10/h9-13,15H,3-8H2,1-2H3

InChI Key

ALXGUIIGZLCLNY-UHFFFAOYSA-N

Formula

C14H24O

SMILES

CC(C)CC1(O)C2CC3CC(C2)CC1C3

Molecular Weight¹

208.34

• 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°	76.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-303.00	kJ/mol	Joback Calculated Property
ΔfusH°	20.73	kJ/mol	Joback Calculated Property
ΔvapH°	61.19	kJ/mol	Joback Calculated Property
log10WS	-3.53		Crippen Calculated Property
logPoct/wat	3.220		Crippen Calculated Property
McVol	181.410	ml/mol	McGowan Calculated Property
Pc	2338.29	kPa	Joback Calculated Property
Inp	[1570.00; 1618.00]
Inp	1570.00		NIST
Inp	1588.00		NIST
Inp	1602.00		NIST
Inp	1618.00		NIST
Inp	1570.00		NIST
I	[2042.00; 2061.00]
I	2042.00		NIST
I	2061.00		NIST
I	2042.00		NIST
Tboil	626.85	K	Joback Calculated Property
Tc	826.66	K	Joback Calculated Property
Tfus	359.08	K	Joback Calculated Property
Vc	0.692	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.34; 645.01]	J/mol×K	[626.85; 826.66]
Cp,gas	544.34	J/mol×K	626.85	Joback Calculated Property
Cp,gas	563.24	J/mol×K	660.15	Joback Calculated Property
Cp,gas	581.09	J/mol×K	693.45	Joback Calculated Property
Cp,gas	598.04	J/mol×K	726.76	Joback Calculated Property
Cp,gas	614.25	J/mol×K	760.06	Joback Calculated Property
Cp,gas	629.86	J/mol×K	793.36	Joback Calculated Property
Cp,gas	645.01	J/mol×K	826.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-isobutyl-2-adamantanol.

Sources

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

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