Chemical Properties of Benzoic acid, 4-(phenylmethyl)- (CAS 620-86-0)

InChI

InChI=1S/C14H12O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)

InChI Key

FPHVRPCVNPHPBH-UHFFFAOYSA-N

Formula

C14H12O2

SMILES

O=C(O)c1ccc(Cc2ccccc2)cc1

Molecular Weight¹

212.24

CAS

620-86-0

Other Names

• 4-(Phenylmethyl)benzoic acid

• 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	[204.13; 512.29]	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			-5.87490e+01
Coefficient B			1.16730e+00
Coefficient C			-8.05760e-04
Coefficient D			2.09500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.13	J/mol×K	273.00	Calculated Property
Cp,gas	262.64	J/mol×K	353.78	Calculated Property
Cp,gas	313.54	J/mol×K	434.56	Calculated Property
Cp,gas	357.49	J/mol×K	515.33	Calculated Property
Cp,gas	395.14	J/mol×K	596.11	Calculated Property
Cp,gas	427.17	J/mol×K	676.89	Calculated Property
Cp,gas	454.24	J/mol×K	757.67	Calculated Property
Cp,gas	477.01	J/mol×K	838.44	Calculated Property
Cp,gas	496.14	J/mol×K	919.22	Calculated Property
Cp,gas	512.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008196; 0.0001744]	Pa×s	[473.50; 679.97]	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			-1.22032e+01
Coefficient B			2.41320e+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.			473.50
Temperature range, max.			679.97
η	0.0008196	Pa×s	473.50	Calculated Property
η	0.0006476	Pa×s	496.44	Calculated Property
η	0.0005225	Pa×s	519.38	Calculated Property
η	0.0004292	Pa×s	542.32	Calculated Property
η	0.0003583	Pa×s	565.26	Calculated Property
η	0.0003034	Pa×s	588.21	Calculated Property
η	0.0002601	Pa×s	611.15	Calculated Property
η	0.0002254	Pa×s	634.09	Calculated Property
η	0.0001974	Pa×s	657.03	Calculated Property
η	0.0001744	Pa×s	679.97	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(phenylmethyl)-.

Sources

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

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