Chemical Properties of Ethyl 2,4,6-trimethylbenzoate

InChI

InChI=1S/C12H16O2/c1-5-14-12(13)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3

InChI Key

ZXTXIZPSMQCYBN-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CCOC(=O)c1c(C)cc(C)cc1C

Molecular Weight¹

192.26

Other Names

• Benzoic acid, 2,4,6-trimethyl-, ethyl ester

• 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).
• 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	[226.78; 518.88]	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			2.63810e+01
Coefficient B			8.31680e-01
Coefficient C			-3.64480e-04
Coefficient D			2.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.78	J/mol×K	273.00	Calculated Property
Cp,gas	276.11	J/mol×K	353.78	Calculated Property
Cp,gas	321.04	J/mol×K	434.56	Calculated Property
Cp,gas	361.64	J/mol×K	515.33	Calculated Property
Cp,gas	398.00	J/mol×K	596.11	Calculated Property
Cp,gas	430.19	J/mol×K	676.89	Calculated Property
Cp,gas	458.29	J/mol×K	757.67	Calculated Property
Cp,gas	482.39	J/mol×K	838.44	Calculated Property
Cp,gas	502.56	J/mol×K	919.22	Calculated Property
Cp,gas	518.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013883; 0.0001820]	Pa×s	[331.31; 546.45]	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			-1.17402e+01
Coefficient B			1.70972e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			331.31
Temperature range, max.			546.45
η	0.0013883	Pa×s	331.31	Calculated Property
η	0.0009810	Pa×s	355.21	Calculated Property
η	0.0007242	Pa×s	379.12	Calculated Property
η	0.0005542	Pa×s	403.02	Calculated Property
η	0.0004371	Pa×s	426.93	Calculated Property
η	0.0003534	Pa×s	450.83	Calculated Property
η	0.0002920	Pa×s	474.73	Calculated Property
η	0.0002457	Pa×s	498.64	Calculated Property
η	0.0002100	Pa×s	522.54	Calculated Property
η	0.0001820	Pa×s	546.45	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2,4,6-trimethylbenzoate.

Sources

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

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