Chemical Properties of 2-butyl-2-adamantanol

InChI

InChI=1S/C14H24O/c1-2-3-4-14(15)12-6-10-5-11(8-12)9-13(14)7-10/h10-13,15H,2-9H2,1H3

InChI Key

PXRAOOXXPGRCJZ-UHFFFAOYSA-N

Formula

C14H24O

SMILES

CCCCC1(O)C2CC3CC(C2)CC1C3

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	0.5760		Relay (1.0) Calculated Property
ΔfG°	79.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-335.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.25	kJ/mol	Joback Calculated Property
ΔvapH°	75.15	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-4.66		Relay (1.0) Calculated Property
logPoct/wat	3.364		Crippen Calculated Property
McVol	181.410	ml/mol	McGowan Calculated Property
Pc	2320.31	kPa	Joback Calculated Property
Inp	[1620.00; 1665.00]
Inp	1620.00		NIST
Inp	1637.00		NIST
Inp	1650.00		NIST
Inp	1665.00		NIST
Inp	1620.00		NIST
I	[2143.00; 2143.00]
I	2143.00		NIST
I	2143.00		NIST
Tboil	560.07	K	Relay (1.0) Calculated Property
Tc	807.16	K	Relay (1.0) Calculated Property
Tfus	420.17	K	Relay (1.0) Calculated Property
Vc	0.669	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.95; 642.83]	J/mol×K	[627.29; 823.46]
Cp,gas	543.95	J/mol×K	627.29	Joback Calculated Property
Cp,gas	562.46	J/mol×K	659.99	Joback Calculated Property
Cp,gas	579.97	J/mol×K	692.68	Joback Calculated Property
Cp,gas	596.62	J/mol×K	725.38	Joback Calculated Property
Cp,gas	612.55	J/mol×K	758.07	Joback Calculated Property
Cp,gas	627.91	J/mol×K	790.77	Joback Calculated Property
Cp,gas	642.83	J/mol×K	823.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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