Chemical Properties of Ethyl 2-benzylacetoacetate (CAS 620-79-1)

InChI

InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3

InChI Key

XDWQYMXQMNUWID-UHFFFAOYSA-N

Formula

C13H16O3

SMILES

CCOC(=O)C(Cc1ccccc1)C(C)=O

Molecular Weight¹

220.26

CAS

620-79-1

Other Names

• Ethyl «alpha»-benzylacetoacetate
• Ethyl benzylacetoacetate
• Benzenepropanoic acid, «alpha»-acetyl-, ethyl ester
• Ethyl «alpha»-acetylhydrocinnamate
• Ethyl 2-acetyl-3-phenylpropionate
• Hydrocinnamic acid, «alpha»-acetyl-, ethyl ester
• Ethyl 2-benzyl-3-oxobutanoate
• Ethyl-a-benzylacetoacetate

• 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_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	[463.09; 537.49]	J/mol×K	[653.24; 867.17]
Cp,gas	463.09	J/mol×K	653.24	Joback Calculated Property
Cp,gas	477.76	J/mol×K	688.89	Joback Calculated Property
Cp,gas	491.50	J/mol×K	724.55	Joback Calculated Property
Cp,gas	504.31	J/mol×K	760.20	Joback Calculated Property
Cp,gas	516.23	J/mol×K	795.86	Joback Calculated Property
Cp,gas	527.28	J/mol×K	831.51	Joback Calculated Property
Cp,gas	537.49	J/mol×K	867.17	Joback Calculated Property
η	[0.0001598; 0.0021636]	Pa×s	[369.78; 653.24]
η	0.0021636	Pa×s	369.78	Joback Calculated Property
η	0.0010959	Pa×s	417.02	Joback Calculated Property
η	0.0006375	Pa×s	464.27	Joback Calculated Property
η	0.0004099	Pa×s	511.51	Joback Calculated Property
η	0.0002840	Pa×s	558.75	Joback Calculated Property
η	0.0002083	Pa×s	606.00	Joback Calculated Property
η	0.0001598	Pa×s	653.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2-benzylacetoacetate.

Sources

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

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