Chemical Properties of 5(4H)-Oxazolone, 2-methyl-4-(phenylmethylene)- (CAS 881-90-3)

InChI

InChI=1S/C11H9NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+

InChI Key

BWQBTJRPSDVWIR-JXMROGBWSA-N

Formula

C11H9NO2

SMILES

CC1=NC(=Cc2ccccc2)C(=O)O1

Molecular Weight¹

187.19

CAS

881-90-3

Other Names

• 4-Benzyliden-2-methyl-4,5-dihydro-1,3-oxazol-5-on
• 4-Benzylidene-2-methyl-4,5-dihydro-1,3-oxazol-5-one
• 4-Benzylidene-2-methyl-2-oxazolin-5-one
• 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one
• NSC 10132

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	[364.60; 437.39]	J/mol×K	[656.96; 923.67]
Cp,gas	364.60	J/mol×K	656.96	Joback Calculated Property
Cp,gas	379.90	J/mol×K	701.41	Joback Calculated Property
Cp,gas	393.92	J/mol×K	745.86	Joback Calculated Property
Cp,gas	406.68	J/mol×K	790.32	Joback Calculated Property
Cp,gas	418.17	J/mol×K	834.77	Joback Calculated Property
Cp,gas	428.40	J/mol×K	879.22	Joback Calculated Property
Cp,gas	437.39	J/mol×K	923.67	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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