Chemical Properties of 3-isopropyl-1-adamantanol

InChI

InChI=1S/C13H22O/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11,14H,3-8H2,1-2H3

InChI Key

CIGVNBDLKNGATQ-UHFFFAOYSA-N

Formula

C13H22O

SMILES

CC(C)C12CC3CC(CC(O)(C3)C1)C2

Molecular Weight¹

194.31

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.5239		Relay (... Calculated Property
ΔfG°	70.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-368.36	kJ/mol	Relay (... Calculated Property
ΔfusH°	10.77	kJ/mol	Joback Calculated Property
ΔvapH°	72.02	kJ/mol	Relay (... Calculated Property
IE	8.96	eV	Relay (... Calculated Property
log10WS	-4.18		Relay (... Calculated Property
logPoct/wat	2.974		Crippen Calculated Property
McVol	167.320	ml/mol	McGowan Calculated Property
Pc	2787.66	kPa	Joback Calculated Property
Inp	[1506.00; 1556.00]
Inp	1506.00		NIST
Inp	1528.00		NIST
Inp	1539.00		NIST
Inp	1556.00		NIST
Inp	1506.00		NIST
I	[2122.00; 2122.00]
I	2122.00		NIST
I	2122.00		NIST
Tboil	541.80	K	Relay (... Calculated Property
Tc	788.98	K	Relay (... Calculated Property
Tfus	418.29	K	Relay (... Calculated Property
Vc	0.613	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[487.78; 584.28]	J/mol×K	[608.88; 819.09]
Cp,gas	487.78	J/mol×K	608.88	Joback Calculated Property
Cp,gas	505.66	J/mol×K	643.91	Joback Calculated Property
Cp,gas	522.48	J/mol×K	678.95	Joback Calculated Property
Cp,gas	538.50	J/mol×K	713.98	Joback Calculated Property
Cp,gas	553.97	J/mol×K	749.02	Joback Calculated Property
Cp,gas	569.15	J/mol×K	784.05	Joback Calculated Property
Cp,gas	584.28	J/mol×K	819.09	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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