Chemical Properties of 1-Adamantanecarboxylic acid, 2-naphthyl ester

InChI

InChI=1S/C21H22O2/c22-20(21-11-14-7-15(12-21)9-16(8-14)13-21)23-19-6-5-17-3-1-2-4-18(17)10-19/h1-6,10,14-16H,7-9,11-13H2

InChI Key

NDCDEBASCFYTSY-UHFFFAOYSA-N

Formula

C21H22O2

SMILES

O=C(Oc1ccc2ccccc2c1)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

306.40

• 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.
• 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°	258.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-98.30	kJ/mol	Joback Calculated Property
ΔfusH°	30.68	kJ/mol	Joback Calculated Property
ΔvapH°	74.53	kJ/mol	Joback Calculated Property
log10WS	-6.07		Crippen Calculated Property
logPoct/wat	4.962		Crippen Calculated Property
McVol	238.390	ml/mol	McGowan Calculated Property
Pc	2066.12	kPa	Joback Calculated Property
Inp	[2690.00; 2690.00]
Inp	2690.00		NIST
Inp	2690.00		NIST
Tboil	826.87	K	Joback Calculated Property
Tc	1080.23	K	Joback Calculated Property
Tfus	540.19	K	Joback Calculated Property
Vc	0.909	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.17; 894.29]	J/mol×K	[826.87; 1080.23]
Cp,gas	769.17	J/mol×K	826.87	Joback Calculated Property
Cp,gas	789.81	J/mol×K	869.10	Joback Calculated Property
Cp,gas	810.05	J/mol×K	911.32	Joback Calculated Property
Cp,gas	830.27	J/mol×K	953.55	Joback Calculated Property
Cp,gas	850.80	J/mol×K	995.78	Joback Calculated Property
Cp,gas	872.03	J/mol×K	1038.00	Joback Calculated Property
Cp,gas	894.29	J/mol×K	1080.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Adamantanecarboxylic acid, 2-naphthyl ester.

Sources

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

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