Chemical Properties of Benzeneacetic acid, «alpha»-oxo-, methyl ester (CAS 15206-55-0)

InChI

InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3

InChI Key

YLHXLHGIAMFFBU-UHFFFAOYSA-N

Formula

C9H8O3

SMILES

COC(=O)C(=O)c1ccccc1

Molecular Weight¹

164.16

CAS

15206-55-0

Other Names

• Methyl benzoylformate
• Methyl phenylglyoxylate
• Methyl phenylglyoxalate
• Benzoylformic acid methyl ester
• Glyoxylic acid, phenyl-, methyl ester
• Methyl oxophenylacetate
• Phenylglyoxylic acid, methyl ester
• Vicure 55
• «alpha»-Oxobenzeneacetic acid methyl ester
• NSC 171206
• Methyl 2-oxo-2-phenylacetate

• 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).
• I_np : Non-polar retention indices.
• 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	[156.41; 362.25]	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			-6.43000e+00
Coefficient B			6.97120e-01
Coefficient C			-3.83700e-04
Coefficient D			5.52600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.41	J/mol×K	273.00	Calculated Property
Cp,gas	194.62	J/mol×K	353.78	Calculated Property
Cp,gas	228.58	J/mol×K	434.56	Calculated Property
Cp,gas	258.48	J/mol×K	515.33	Calculated Property
Cp,gas	284.49	J/mol×K	596.11	Calculated Property
Cp,gas	306.78	J/mol×K	676.89	Calculated Property
Cp,gas	325.52	J/mol×K	757.67	Calculated Property
Cp,gas	340.90	J/mol×K	838.44	Calculated Property
Cp,gas	353.08	J/mol×K	919.22	Calculated Property
Cp,gas	362.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029162; 0.0002412]	Pa×s	[309.87; 536.72]	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			-1.17342e+01
Coefficient B			1.82721e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			309.87
Temperature range, max.			536.72
η	0.0029162	Pa×s	309.87	Calculated Property
η	0.0018715	Pa×s	335.08	Calculated Property
η	0.0012779	Pa×s	360.28	Calculated Property
η	0.0009172	Pa×s	385.49	Calculated Property
η	0.0006857	Pa×s	410.69	Calculated Property
η	0.0005302	Pa×s	435.90	Calculated Property
η	0.0004216	Pa×s	461.10	Calculated Property
η	0.0003433	Pa×s	486.31	Calculated Property
η	0.0002853	Pa×s	511.51	Calculated Property
η	0.0002412	Pa×s	536.72	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, «alpha»-oxo-, methyl ester.

Sources

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

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