Chemical Properties of Benzoic acid, 3-methyl-, 4-biphenyl ester

InChI

InChI=1S/C20H16O2/c1-15-6-5-9-18(14-15)20(21)22-19-12-10-17(11-13-19)16-7-3-2-4-8-16/h2-14H,1H3

InChI Key

VYSBBHOJVYYBGX-UHFFFAOYSA-N

Formula

C20H16O2

SMILES

Cc1cccc(C(=O)Oc2ccc(-c3ccccc3)cc2)c1

Molecular Weight¹

288.35

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[279.43; 697.60]	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			-6.30000e+01
Coefficient B			1.49332e+00
Coefficient C			-9.29120e-04
Coefficient D			1.96400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	279.43	J/mol×K	273.00	Calculated Property
Cp,gas	357.71	J/mol×K	353.78	Calculated Property
Cp,gas	426.59	J/mol×K	434.56	Calculated Property
Cp,gas	486.69	J/mol×K	515.33	Calculated Property
Cp,gas	538.63	J/mol×K	596.11	Calculated Property
Cp,gas	583.02	J/mol×K	676.89	Calculated Property
Cp,gas	620.49	J/mol×K	757.67	Calculated Property
Cp,gas	651.67	J/mol×K	838.44	Calculated Property
Cp,gas	677.16	J/mol×K	919.22	Calculated Property
Cp,gas	697.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007470; 0.0000898]	Pa×s	[461.79; 743.65]	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			-1.27888e+01
Coefficient B			2.58110e+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.			461.79
Temperature range, max.			743.65
η	0.0007470	Pa×s	461.79	Calculated Property
η	0.0005238	Pa×s	493.11	Calculated Property
η	0.0003832	Pa×s	524.43	Calculated Property
η	0.0002903	Pa×s	555.74	Calculated Property
η	0.0002266	Pa×s	587.06	Calculated Property
η	0.0001814	Pa×s	618.38	Calculated Property
η	0.0001483	Pa×s	649.70	Calculated Property
η	0.0001236	Pa×s	681.01	Calculated Property
η	0.0001046	Pa×s	712.33	Calculated Property
η	0.0000898	Pa×s	743.65	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-methyl-, 4-biphenyl ester.

Sources

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

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