Chemical Properties of Cyclobutanecarboxylic acid, 4-cyanophenyl ester

InChI

InChI=1S/C12H11NO2/c13-8-9-4-6-11(7-5-9)15-12(14)10-2-1-3-10/h4-7,10H,1-3H2

InChI Key

ILZYZHSUQGGPKH-UHFFFAOYSA-N

Formula

C12H11NO2

SMILES

N#Cc1ccc(OC(=O)C2CCC2)cc1

Molecular Weight¹

201.22

• 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°	100.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-79.23	kJ/mol	Joback Calculated Property
ΔfusH°	20.82	kJ/mol	Joback Calculated Property
ΔvapH°	64.96	kJ/mol	Joback Calculated Property
log10WS	-3.05		Crippen Calculated Property
logPoct/wat	2.264		Crippen Calculated Property
McVol	154.140	ml/mol	McGowan Calculated Property
Pc	2835.36	kPa	Joback Calculated Property
Inp	[1671.00; 1671.00]
Inp	1671.00		NIST
Inp	1671.00		NIST
Tboil	695.00	K	Joback Calculated Property
Tc	937.34	K	Joback Calculated Property
Tfus	415.51	K	Joback Calculated Property
Vc	0.599	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.42; 470.72]	J/mol×K	[695.00; 937.34]
Cp,gas	406.42	J/mol×K	695.00	Joback Calculated Property
Cp,gas	419.54	J/mol×K	735.39	Joback Calculated Property
Cp,gas	431.63	J/mol×K	775.78	Joback Calculated Property
Cp,gas	442.75	J/mol×K	816.17	Joback Calculated Property
Cp,gas	452.93	J/mol×K	856.56	Joback Calculated Property
Cp,gas	462.24	J/mol×K	896.95	Joback Calculated Property
Cp,gas	470.72	J/mol×K	937.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic acid, 4-cyanophenyl ester.

Sources

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

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