Chemical Properties of Benzeneacetic acid, .alpha.-oxo-, ethyl ester

InChI

InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChI Key

QKLCQKPAECHXCQ-UHFFFAOYSA-N

Formula

C10H10O3

SMILES

CCOC(=O)C(=O)c1ccccc1

Molecular Weight¹

178.19

Other Names

• Glyoxylic acid, phenyl-, ethyl ester
• Ethyl benzoylformate
• Ethyl oxophenylacetate
• Ethyl phenylglyoxylate
• Ethyl 2-oxo-2-phenylacetate
• Phenylglyoxylic acid ethyl ester

• ω : Acentric Factor.
• 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).
• 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_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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.63; 413.84]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.33900e+00
Coefficient B			7.92120e-01
Coefficient C			-4.38100e-04
Coefficient D			6.71600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.63	J/mol×K	273.00	Calculated Property
Cp,gas	221.04	J/mol×K	353.78	Calculated Property
Cp,gas	259.66	J/mol×K	434.56	Calculated Property
Cp,gas	293.71	J/mol×K	515.33	Calculated Property
Cp,gas	323.40	J/mol×K	596.11	Calculated Property
Cp,gas	348.94	J/mol×K	676.89	Calculated Property
Cp,gas	370.54	J/mol×K	757.67	Calculated Property
Cp,gas	388.42	J/mol×K	838.44	Calculated Property
Cp,gas	402.78	J/mol×K	919.22	Calculated Property
Cp,gas	413.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028280; 0.0002346]	Pa×s	[321.14; 549.98]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18512e+01
Coefficient B			1.92137e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			321.14
Temperature range, max.			549.98
η	0.0028280	Pa×s	321.14	Calculated Property
η	0.0018232	Pa×s	346.57	Calculated Property
η	0.0012481	Pa×s	371.99	Calculated Property
η	0.0008969	Pa×s	397.42	Calculated Property
η	0.0006706	Pa×s	422.85	Calculated Property
η	0.0005183	Pa×s	448.27	Calculated Property
η	0.0004118	Pa×s	473.70	Calculated Property
η	0.0003349	Pa×s	499.13	Calculated Property
η	0.0002779	Pa×s	524.55	Calculated Property
η	0.0002346	Pa×s	549.98	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, .alpha.-oxo-, ethyl ester.

Sources

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

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