Chemical Properties of 3-butyl-1-adamantanol

InChI

InChI=1S/C14H24O/c1-2-3-4-13-6-11-5-12(7-13)9-14(15,8-11)10-13/h11-12,15H,2-10H2,1H3

InChI Key

GSFQHLMKIMLFLH-UHFFFAOYSA-N

Formula

C14H24O

SMILES

CCCCC12CC3CC(CC(O)(C3)C1)C2

Molecular Weight¹

208.34

• 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	0.5849		Relay (... Calculated Property
ΔfG°	81.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-390.56	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.88	kJ/mol	Joback Calculated Property
ΔvapH°	78.87	kJ/mol	Relay (... Calculated Property
IE	9.04	eV	Relay (... Calculated Property
log10WS	-4.94		Relay (... Calculated Property
logPoct/wat	3.508		Crippen Calculated Property
McVol	181.410	ml/mol	McGowan Calculated Property
Pc	2505.01	kPa	Joback Calculated Property
Inp	[1595.00; 1641.00]
Inp	1595.00		NIST
Inp	1613.00		NIST
Inp	1626.00		NIST
Inp	1641.00		NIST
I	[2182.00; 2182.00]
I	2182.00		NIST
I	2182.00		NIST
Tboil	563.60	K	Relay (... Calculated Property
Tc	798.65	K	Relay (... Calculated Property
Tfus	378.59	K	Relay (... Calculated Property
Vc	0.678	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.57; 638.02]	J/mol×K	[632.20; 835.27]
Cp,gas	539.57	J/mol×K	632.20	Joback Calculated Property
Cp,gas	557.45	J/mol×K	666.05	Joback Calculated Property
Cp,gas	574.43	J/mol×K	699.89	Joback Calculated Property
Cp,gas	590.74	J/mol×K	733.74	Joback Calculated Property
Cp,gas	606.62	J/mol×K	767.58	Joback Calculated Property
Cp,gas	622.30	J/mol×K	801.43	Joback Calculated Property
Cp,gas	638.02	J/mol×K	835.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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