Chemical Properties of Carbonic acid, butyl 4-cyanophenyl ester

InChI

InChI=1S/C12H13NO3/c1-2-3-8-15-12(14)16-11-6-4-10(9-13)5-7-11/h4-7H,2-3,8H2,1H3

InChI Key

MPQJLBILJZIJSZ-UHFFFAOYSA-N

Formula

C12H13NO3

SMILES

CCCCOC(=O)Oc1ccc(C#N)cc1

Molecular Weight¹

219.24

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.99; 505.15]	J/mol×K	[706.41; 924.23]
Cp,gas	444.99	J/mol×K	706.41	Joback Calculated Property
Cp,gas	457.02	J/mol×K	742.71	Joback Calculated Property
Cp,gas	468.25	J/mol×K	779.02	Joback Calculated Property
Cp,gas	478.67	J/mol×K	815.32	Joback Calculated Property
Cp,gas	488.30	J/mol×K	851.63	Joback Calculated Property
Cp,gas	497.12	J/mol×K	887.93	Joback Calculated Property
Cp,gas	505.15	J/mol×K	924.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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