Chemical Properties of Benzyl o-toluate (CAS 67157-60-2)

InChI

InChI=1S/C15H14O2/c1-12-7-5-6-10-14(12)15(16)17-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3

InChI Key

IRNSYGIUGHROTJ-UHFFFAOYSA-N

Formula

C15H14O2

SMILES

Cc1ccccc1C(=O)OCc1ccccc1

Molecular Weight¹

226.27

CAS

67157-60-2

Other Names

• o-Toluic acid, benzyl ester
• Benzyl 2-methylbenzoate

• 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).
• 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 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	[228.06; 561.21]	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			-3.88490e+01
Coefficient B			1.15672e+00
Coefficient C			-6.92960e-04
Coefficient D			1.36300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.06	J/mol×K	273.00	Calculated Property
Cp,gas	289.68	J/mol×K	353.78	Calculated Property
Cp,gas	344.14	J/mol×K	434.56	Calculated Property
Cp,gas	391.87	J/mol×K	515.33	Calculated Property
Cp,gas	433.31	J/mol×K	596.11	Calculated Property
Cp,gas	468.89	J/mol×K	676.89	Calculated Property
Cp,gas	499.04	J/mol×K	757.67	Calculated Property
Cp,gas	524.19	J/mol×K	838.44	Calculated Property
Cp,gas	544.77	J/mol×K	919.22	Calculated Property
Cp,gas	561.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015971; 0.0001428]	Pa×s	[366.50; 627.32]	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			-1.22462e+01
Coefficient B			2.12814e+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.			366.50
Temperature range, max.			627.32
η	0.0015971	Pa×s	366.50	Calculated Property
η	0.0010436	Pa×s	395.48	Calculated Property
η	0.0007227	Pa×s	424.46	Calculated Property
η	0.0005246	Pa×s	453.44	Calculated Property
η	0.0003957	Pa×s	482.42	Calculated Property
η	0.0003082	Pa×s	511.40	Calculated Property
η	0.0002465	Pa×s	540.38	Calculated Property
η	0.0002018	Pa×s	569.36	Calculated Property
η	0.0001683	Pa×s	598.34	Calculated Property
η	0.0001428	Pa×s	627.32	Calculated Property

Similar Compounds

Find more compounds similar to Benzyl o-toluate.

Sources

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

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