Chemical Properties of Benzoic acid, 3-methyl-, 3-ethylphenyl ester

InChI

InChI=1S/C16H16O2/c1-3-13-7-5-9-15(11-13)18-16(17)14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3

InChI Key

IDBWEZVXLJLXGY-UHFFFAOYSA-N

Formula

C16H16O2

SMILES

CCc1cccc(OC(=O)c2cccc(C)c2)c1

Molecular Weight¹

240.30

• 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	[251.83; 609.76]	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			-2.54590e+01
Coefficient B			1.19224e+00
Coefficient C			-6.80320e-04
Coefficient D			1.23300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.83	J/mol×K	273.00	Calculated Property
Cp,gas	316.64	J/mol×K	353.78	Calculated Property
Cp,gas	374.28	J/mol×K	434.56	Calculated Property
Cp,gas	425.14	J/mol×K	515.33	Calculated Property
Cp,gas	469.62	J/mol×K	596.11	Calculated Property
Cp,gas	508.09	J/mol×K	676.89	Calculated Property
Cp,gas	540.95	J/mol×K	757.67	Calculated Property
Cp,gas	568.59	J/mol×K	838.44	Calculated Property
Cp,gas	591.39	J/mol×K	919.22	Calculated Property
Cp,gas	609.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011964; 0.0001336]	Pa×s	[390.29; 644.11]	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			-1.22911e+01
Coefficient B			2.17104e+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.			390.29
Temperature range, max.			644.11
η	0.0011964	Pa×s	390.29	Calculated Property
η	0.0008224	Pa×s	418.49	Calculated Property
η	0.0005927	Pa×s	446.70	Calculated Property
η	0.0004441	Pa×s	474.90	Calculated Property
η	0.0003437	Pa×s	503.10	Calculated Property
η	0.0002733	Pa×s	531.30	Calculated Property
η	0.0002224	Pa×s	559.51	Calculated Property
η	0.0001847	Pa×s	587.71	Calculated Property
η	0.0001559	Pa×s	615.91	Calculated Property
η	0.0001336	Pa×s	644.11	Calculated Property

Similar Compounds

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

Sources

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

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