Chemical Properties of 2-METHYLBENZYL BENZOATE

InChI

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

InChI Key

NAIUTWJYNXOVNP-UHFFFAOYSA-N

Formula

C15H14O2

SMILES

Cc1ccccc1COC(=O)c1ccccc1

Molecular Weight¹

226.28

Other Names

• Benzoic acid, (2-methylphenyl)methyl ester

• 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).
• 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).
• 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	[228.06; 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 2-METHYLBENZYL BENZOATE.

Sources

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

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