Chemical Properties of Adamantane-1-carboxylic acid, tert.-butyl ester

InChI

InChI=1S/C15H24O2/c1-14(2,3)17-13(16)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3

InChI Key

QBOVXIMGMVOPQK-UHFFFAOYSA-N

Formula

C15H24O2

SMILES

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

Molecular Weight¹

236.35

• 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°	1.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-399.34	kJ/mol	Joback Calculated Property
ΔfusH°	17.06	kJ/mol	Joback Calculated Property
ΔvapH°	55.30	kJ/mol	Joback Calculated Property
log10WS	-3.79		Crippen Calculated Property
logPoct/wat	3.545		Crippen Calculated Property
McVol	197.070	ml/mol	McGowan Calculated Property
Pc	2131.49	kPa	Joback Calculated Property
Inp	[1556.00; 1595.00]
Inp	1556.00		NIST
Inp	1556.00		NIST
Inp	1571.00		NIST
Inp	1582.00		NIST
Inp	1595.00		NIST
I	[1875.00; 1915.00]
I	1875.00		NIST
I	1896.00		NIST
I	1915.00		NIST
Tboil	635.72	K	Joback Calculated Property
Tc	859.57	K	Joback Calculated Property
Tfus	403.35	K	Joback Calculated Property
Vc	0.749	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[583.47; 694.80]	J/mol×K	[635.72; 859.57]
Cp,gas	583.47	J/mol×K	635.72	Joback Calculated Property
Cp,gas	604.67	J/mol×K	673.03	Joback Calculated Property
Cp,gas	624.51	J/mol×K	710.34	Joback Calculated Property
Cp,gas	643.22	J/mol×K	747.65	Joback Calculated Property
Cp,gas	661.02	J/mol×K	784.95	Joback Calculated Property
Cp,gas	678.14	J/mol×K	822.26	Joback Calculated Property
Cp,gas	694.80	J/mol×K	859.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adamantane-1-carboxylic acid, tert.-butyl ester.

Sources

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

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