Chemical Properties of Cyclobutanecarboxylic acid, phenyl ester (CAS 30466-31-0)

InChI

InChI=1S/C11H12O2/c12-11(9-5-4-6-9)13-10-7-2-1-3-8-10/h1-3,7-9H,4-6H2

InChI Key

QSPUUVAPVKVXFB-UHFFFAOYSA-N

Formula

C11H12O2

SMILES

O=C(Oc1ccccc1)C1CCC1

Molecular Weight¹

176.21

CAS

30466-31-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-31.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-212.00	kJ/mol	Joback Calculated Property
ΔfusH°	17.11	kJ/mol	Joback Calculated Property
ΔvapH°	51.60	kJ/mol	Joback Calculated Property
log10WS	-2.69		Crippen Calculated Property
logPoct/wat	2.392		Crippen Calculated Property
McVol	138.670	ml/mol	McGowan Calculated Property
Pc	3295.37	kPa	Joback Calculated Property
Inp	[1381.00; 1381.00]
Inp	1381.00		NIST
Inp	1381.00		NIST
Tboil	565.06	K	Joback Calculated Property
Tc	798.36	K	Joback Calculated Property
Tfus	326.73	K	Joback Calculated Property
Vc	0.516	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[332.53; 413.29]	J/mol×K	[565.06; 798.36]
Cp,gas	332.53	J/mol×K	565.06	Joback Calculated Property
Cp,gas	348.66	J/mol×K	603.94	Joback Calculated Property
Cp,gas	363.65	J/mol×K	642.83	Joback Calculated Property
Cp,gas	377.56	J/mol×K	681.71	Joback Calculated Property
Cp,gas	390.43	J/mol×K	720.59	Joback Calculated Property
Cp,gas	402.32	J/mol×K	759.48	Joback Calculated Property
Cp,gas	413.29	J/mol×K	798.36	Joback Calculated Property
η	[0.0003529; 0.0022805]	Pa×s	[326.73; 565.06]
η	0.0022805	Pa×s	326.73	Joback Calculated Property
η	0.0014118	Pa×s	366.45	Joback Calculated Property
η	0.0009599	Pa×s	406.17	Joback Calculated Property
η	0.0006991	Pa×s	445.89	Joback Calculated Property
η	0.0005363	Pa×s	485.62	Joback Calculated Property
η	0.0004282	Pa×s	525.34	Joback Calculated Property
η	0.0003529	Pa×s	565.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic acid, phenyl ester.

Sources

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

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