Chemical Properties of 4-Methoxybenzoylacetonitrile (CAS 3672-47-7)

InChI

InChI=1S/C10H9NO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5H,6H2,1H3

InChI Key

IKEPUFCALLUUBC-UHFFFAOYSA-N

Formula

C10H9NO2

SMILES

COc1ccc(C(=O)CC#N)cc1

Molecular Weight¹

175.18

CAS

3672-47-7

• 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).
• 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	[322.77; 377.02]	J/mol×K	[638.23; 866.78]
Cp,gas	322.77	J/mol×K	638.23	Joback Calculated Property
Cp,gas	333.55	J/mol×K	676.32	Joback Calculated Property
Cp,gas	343.62	J/mol×K	714.41	Joback Calculated Property
Cp,gas	352.99	J/mol×K	752.51	Joback Calculated Property
Cp,gas	361.68	J/mol×K	790.60	Joback Calculated Property
Cp,gas	369.68	J/mol×K	828.69	Joback Calculated Property
Cp,gas	377.02	J/mol×K	866.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Methoxybenzoylacetonitrile.

Sources

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

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