Chemical Properties of 3-Butenenitrile, 2-(benzoyloxy)-4-phenyl- (CAS 1591-17-9)

InChI

InChI=1S/C17H13NO2/c18-13-16(12-11-14-7-3-1-4-8-14)20-17(19)15-9-5-2-6-10-15/h1-12,16H/b12-11+

InChI Key

HEHFCYOFVZHSGV-VAWYXSNFSA-N

Formula

C17H13NO2

SMILES

N#CC(C=Cc1ccccc1)OC(=O)c1ccccc1

Molecular Weight¹

263.29

CAS

1591-17-9

Other Names

• 3-Butenenitrile, 2-hydroxy-4-phenyl-, benzoate (ester)
• 2-Benzoyloxy-4-phenyl-3-butenenitrile
• Benzoic acid, alpha-cyanocinnamyl ester
• 1-Cyano-3-phenyl-2-propenyl benzoate

• 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	[568.26; 627.71]	J/mol×K	[823.81; 1075.41]
Cp,gas	568.26	J/mol×K	823.81	Joback Calculated Property
Cp,gas	580.67	J/mol×K	865.74	Joback Calculated Property
Cp,gas	591.95	J/mol×K	907.68	Joback Calculated Property
Cp,gas	602.19	J/mol×K	949.61	Joback Calculated Property
Cp,gas	611.51	J/mol×K	991.54	Joback Calculated Property
Cp,gas	619.98	J/mol×K	1033.47	Joback Calculated Property
Cp,gas	627.71	J/mol×K	1075.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Butenenitrile, 2-(benzoyloxy)-4-phenyl-.

Sources

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

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