Chemical Properties of 5(4H)-Oxazolone, 2-phenyl-4-(phenylmethylene)-, (Z)- (CAS 17606-70-1)

InChI

InChI=1S/C16H11NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-11H/b14-11+

InChI Key

VFDOKJVMHZUBTN-SDNWHVSQSA-N

Formula

C16H11NO2

SMILES

O=C1OC(c2ccccc2)=NC1=Cc1ccccc1

Molecular Weight¹

249.26

CAS

17606-70-1

Other Names

• 2-Oxazolin-5-one, 4-benzylidene-2-phenyl-
• 4-Benzylidene-2-phenyl-5(4H)-oxazolone
• 5(4H)-Oxazolone, 2-phenyl-4-(phenylmethylene)-
• 4-Benzyliden-2-phenyl-4,5-dihydro-1,3-oxazol-5-on
• 4-Benzylidene-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
• 4-Benzylidene-2-phenyl-1,3-oxazol-5(4H)-one
• 2-Oxazolin-5-one, 4-benzylidene-2-phenyl-, (Z)-
• (Z)-4-Benzylidene-2-phenyloxazolin-5-one
• 4-Benzylidene-2-phenyl-1,3-oxazol-5(4H)-one, cis-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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	[536.50; 602.35]	J/mol×K	[798.04; 1083.82]
Cp,gas	536.50	J/mol×K	798.04	Joback Calculated Property
Cp,gas	551.87	J/mol×K	845.67	Joback Calculated Property
Cp,gas	565.40	J/mol×K	893.30	Joback Calculated Property
Cp,gas	577.15	J/mol×K	940.93	Joback Calculated Property
Cp,gas	587.18	J/mol×K	988.56	Joback Calculated Property
Cp,gas	595.56	J/mol×K	1036.19	Joback Calculated Property
Cp,gas	602.35	J/mol×K	1083.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5(4H)-Oxazolone, 2-phenyl-4-(phenylmethylene)-, (Z)-.

Sources

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

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