Chemical Properties of 1-Adamantanecarboxylic acid , 4-benzyloxyphenyl ester

InChI

InChI=1S/C24H26O3/c25-23(24-13-18-10-19(14-24)12-20(11-18)15-24)27-22-8-6-21(7-9-22)26-16-17-4-2-1-3-5-17/h1-9,18-20H,10-16H2

InChI Key

WUJQQYJSAUMYHW-UHFFFAOYSA-N

Formula

C24H26O3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

362.46

• 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°	184.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-246.98	kJ/mol	Joback Calculated Property
ΔfusH°	36.66	kJ/mol	Joback Calculated Property
ΔvapH°	84.25	kJ/mol	Joback Calculated Property
log10WS	-6.50		Crippen Calculated Property
logPoct/wat	5.387		Crippen Calculated Property
McVol	282.230	ml/mol	McGowan Calculated Property
Pc	1708.95	kPa	Joback Calculated Property
Inp	[3170.00; 3170.00]
Inp	3170.00		NIST
Inp	3170.00		NIST
Tboil	925.63	K	Joback Calculated Property
Tc	1177.11	K	Joback Calculated Property
Tfus	589.95	K	Joback Calculated Property
Vc	1.065	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[959.34; 1096.18]	J/mol×K	[925.63; 1177.11]
Cp,gas	959.34	J/mol×K	925.63	Joback Calculated Property
Cp,gas	981.43	J/mol×K	967.54	Joback Calculated Property
Cp,gas	1003.38	J/mol×K	1009.46	Joback Calculated Property
Cp,gas	1025.51	J/mol×K	1051.37	Joback Calculated Property
Cp,gas	1048.14	J/mol×K	1093.29	Joback Calculated Property
Cp,gas	1071.59	J/mol×K	1135.20	Joback Calculated Property
Cp,gas	1096.18	J/mol×K	1177.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Adamantanecarboxylic acid , 4-benzyloxyphenyl ester.

Sources

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

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