Chemical Properties of Butanoic acid, 3-oxo-, phenylmethyl ester (CAS 5396-89-4)

InChI

InChI=1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChI Key

WOFAGNLBCJWEOE-UHFFFAOYSA-N

Formula

C11H12O3

SMILES

CC(=O)CC(=O)OCc1ccccc1

Molecular Weight¹

192.21

CAS

5396-89-4

Other Names

• Acetoacetic acid, benzyl ester
• Benzyl acetoacetate
• Benzyl acetylacetate
• Benzyl 3-oxobutanoate
• NSC 4391
• Phenylmethyl 3-oxobutanoate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_boilr : Boiling point at reduced pressure (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	[363.58; 430.30]	J/mol×K	[607.92; 824.86]
Cp,gas	363.58	J/mol×K	607.92	Joback Calculated Property
Cp,gas	376.71	J/mol×K	644.08	Joback Calculated Property
Cp,gas	389.01	J/mol×K	680.23	Joback Calculated Property
Cp,gas	400.49	J/mol×K	716.39	Joback Calculated Property
Cp,gas	411.19	J/mol×K	752.55	Joback Calculated Property
Cp,gas	421.12	J/mol×K	788.70	Joback Calculated Property
Cp,gas	430.30	J/mol×K	824.86	Joback Calculated Property
η	[0.0002109; 0.0019508]	Pa×s	[362.24; 607.92]
η	0.0019508	Pa×s	362.24	Joback Calculated Property
η	0.0011154	Pa×s	403.19	Joback Calculated Property
η	0.0007070	Pa×s	444.13	Joback Calculated Property
η	0.0004839	Pa×s	485.08	Joback Calculated Property
η	0.0003514	Pa×s	526.03	Joback Calculated Property
η	0.0002673	Pa×s	566.97	Joback Calculated Property
η	0.0002109	Pa×s	607.92	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Butanoic acid, 3-oxo-, phenylmethyl ester.

Sources

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

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