Chemical Properties of O-benzoylbenzoic acid, ethyl ester (CAS 604-61-5)

InChI

InChI=1S/C16H14O3/c1-2-19-16(18)14-11-7-6-10-13(14)15(17)12-8-4-3-5-9-12/h3-11H,2H2,1H3

InChI Key

CGWFVEFHQWJOKI-UHFFFAOYSA-N

Formula

C16H14O3

SMILES

CCOC(=O)c1ccccc1C(=O)c1ccccc1

Molecular Weight¹

254.28

CAS

604-61-5

Other Names

• ethyl 2-(benzoyl)benzoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.20; 601.82]	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			-3.23990e+01
Coefficient B			1.22372e+00
Coefficient C			-7.28660e-04
Coefficient D			1.39160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.20	J/mol×K	273.00	Calculated Property
Cp,gas	315.49	J/mol×K	353.78	Calculated Property
Cp,gas	373.20	J/mol×K	434.56	Calculated Property
Cp,gas	423.76	J/mol×K	515.33	Calculated Property
Cp,gas	467.62	J/mol×K	596.11	Calculated Property
Cp,gas	505.23	J/mol×K	676.89	Calculated Property
Cp,gas	537.01	J/mol×K	757.67	Calculated Property
Cp,gas	563.41	J/mol×K	838.44	Calculated Property
Cp,gas	584.86	J/mol×K	919.22	Calculated Property
Cp,gas	601.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063528; 0.0001422]	Pa×s	[332.65; 681.63]	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			-1.24795e+01
Coefficient B			2.46849e+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.			332.65
Temperature range, max.			681.63
η	0.0063528	Pa×s	332.65	Calculated Property
η	0.0029276	Pa×s	371.43	Calculated Property
η	0.0015620	Pa×s	410.20	Calculated Property
η	0.0009289	Pa×s	448.98	Calculated Property
η	0.0006000	Pa×s	487.75	Calculated Property
η	0.0004133	Pa×s	526.53	Calculated Property
η	0.0002997	Pa×s	565.31	Calculated Property
η	0.0002264	Pa×s	604.08	Calculated Property
η	0.0001769	Pa×s	642.86	Calculated Property
η	0.0001422	Pa×s	681.63	Calculated Property

Similar Compounds

Find more compounds similar to O-benzoylbenzoic acid, ethyl ester.

Sources

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

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