Chemical Properties of Benzoic acid, 4-benzoyl-, methyl ester (CAS 6158-54-9)

InChI

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

InChI Key

UPXFXAMIFNGJLD-UHFFFAOYSA-N

Formula

C15H12O3

SMILES

COC(=O)c1ccc(C(=O)c2ccccc2)cc1

Molecular Weight¹

240.25

CAS

6158-54-9

Other Names

• Benzoic acid, p-benzoyl-, methyl ester
• Methyl 4-benzophenonecarboxylate
• Methyl p-benzoyl benzoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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	[0.0013127; 0.0001525]	Pa×s	[416.43; 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.			416.43
Temperature range, max.			669.01
η	0.0013127	Pa×s	416.43	Calculated Property
η	0.0009159	Pa×s	444.49	Calculated Property
η	0.0006669	Pa×s	472.56	Calculated Property
η	0.0005032	Pa×s	500.62	Calculated Property
η	0.0003912	Pa×s	528.69	Calculated Property
η	0.0003119	Pa×s	556.75	Calculated Property
η	0.0002542	Pa×s	584.82	Calculated Property
η	0.0002111	Pa×s	612.88	Calculated Property
η	0.0001781	Pa×s	640.95	Calculated Property
η	0.0001525	Pa×s	669.01	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-benzoyl-, methyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.