Chemical Properties of Benzoic acid, 2-benzoyl-, methyl ester (CAS 606-28-0)

InChI

InChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3

InChI Key

NQSMEZJWJJVYOI-UHFFFAOYSA-N

Formula

C15H12O3

SMILES

COC(=O)c1ccccc1C(=O)c1ccccc1

Molecular Weight¹

240.25

CAS

606-28-0

Other Names

• 2-Benzoylbenzoic acid, methyl ester
• Benzoic acid, o-benzoyl-, methyl ester
• Methyl o-benzoylbenzoate
• Methyl-2-benzoylbenzoate
• methyl 2-(benzoyl)benzoate
• o-(Methoxycarbonyl)benzophenone
• o-Benzoylbenzoic acid methyl 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_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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.99; 550.23]	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			-3.14900e+01
Coefficient B			1.12872e+00
Coefficient C			-6.74260e-04
Coefficient D			1.27260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.99	J/mol×K	273.00	Calculated Property
Cp,gas	289.07	J/mol×K	353.78	Calculated Property
Cp,gas	342.12	J/mol×K	434.56	Calculated Property
Cp,gas	388.53	J/mol×K	515.33	Calculated Property
Cp,gas	428.71	J/mol×K	596.11	Calculated Property
Cp,gas	463.06	J/mol×K	676.89	Calculated Property
Cp,gas	491.99	J/mol×K	757.67	Calculated Property
Cp,gas	515.89	J/mol×K	838.44	Calculated Property
Cp,gas	535.17	J/mol×K	919.22	Calculated Property
Cp,gas	550.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065280; 0.0001525]	Pa×s	[325.00; 669.01]	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			-1.23373e+01
Coefficient B			2.37433e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			325.00
Temperature range, max.			669.01
η	0.0065280	Pa×s	325.00	Calculated Property
η	0.0030261	Pa×s	363.22	Calculated Property
η	0.0016240	Pa×s	401.45	Calculated Property
η	0.0009711	Pa×s	439.67	Calculated Property
η	0.0006305	Pa×s	477.90	Calculated Property
η	0.0004364	Pa×s	516.12	Calculated Property
η	0.0003178	Pa×s	554.34	Calculated Property
η	0.0002411	Pa×s	592.57	Calculated Property
η	0.0001891	Pa×s	630.79	Calculated Property
η	0.0001525	Pa×s	669.01	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-benzoyl-, methyl ester.

Sources

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

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