Chemical Properties of 2-propyl-2-adamantanol

InChI

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

InChI Key

SEFJJPZJVPVBQK-UHFFFAOYSA-N

Formula

C13H22O

SMILES

CCCC1(O)C2CC3CC(C2)CC1C3

Molecular Weight¹

194.31

• 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°	71.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-277.08	kJ/mol	Joback Calculated Property
ΔfusH°	21.66	kJ/mol	Joback Calculated Property
ΔvapH°	59.35	kJ/mol	Joback Calculated Property
log10WS	-3.36		Crippen Calculated Property
logPoct/wat	2.974		Crippen Calculated Property
McVol	167.320	ml/mol	McGowan Calculated Property
Pc	2550.76	kPa	Joback Calculated Property
Inp	[1526.00; 1572.00]
Inp	1526.00		NIST
Inp	1543.00		NIST
Inp	1556.00		NIST
Inp	1572.00		NIST
Inp	1526.00		NIST
I	[2036.00; 2058.00]
I	2036.00		NIST
I	2058.00		NIST
I	2036.00		NIST
Tboil	604.41	K	Joback Calculated Property
Tc	803.16	K	Joback Calculated Property
Tfus	362.81	K	Joback Calculated Property
Vc	0.641	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.06; 587.14]	J/mol×K	[604.41; 803.16]
Cp,gas	491.06	J/mol×K	604.41	Joback Calculated Property
Cp,gas	509.24	J/mol×K	637.53	Joback Calculated Property
Cp,gas	526.35	J/mol×K	670.66	Joback Calculated Property
Cp,gas	542.56	J/mol×K	703.78	Joback Calculated Property
Cp,gas	557.99	J/mol×K	736.91	Joback Calculated Property
Cp,gas	572.81	J/mol×K	770.03	Joback Calculated Property
Cp,gas	587.14	J/mol×K	803.16	Joback Calculated Property

Similar Compounds

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

Sources

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

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