Chemical Properties of Ethyl 2,6-dimethylbenzoate

InChI

InChI=1S/C11H14O2/c1-4-13-11(12)10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3

InChI Key

NBBSIMLSNFENNF-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CCOC(=O)c1c(C)cccc1C

Molecular Weight¹

178.23

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.02; 470.33]	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			1.29910e+01
Coefficient B			7.96160e-01
Coefficient C			-3.77120e-04
Coefficient D			3.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.02	J/mol×K	273.00	Calculated Property
Cp,gas	249.15	J/mol×K	353.78	Calculated Property
Cp,gas	290.89	J/mol×K	434.56	Calculated Property
Cp,gas	328.37	J/mol×K	515.33	Calculated Property
Cp,gas	361.69	J/mol×K	596.11	Calculated Property
Cp,gas	390.99	J/mol×K	676.89	Calculated Property
Cp,gas	416.38	J/mol×K	757.67	Calculated Property
Cp,gas	437.99	J/mol×K	838.44	Calculated Property
Cp,gas	455.93	J/mol×K	919.22	Calculated Property
Cp,gas	470.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018534; 0.0001922]	Pa×s	[307.52; 528.51]	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			-1.17109e+01
Coefficient B			1.66682e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			307.52
Temperature range, max.			528.51
η	0.0018534	Pa×s	307.52	Calculated Property
η	0.0012414	Pa×s	332.07	Calculated Property
η	0.0008787	Pa×s	356.63	Calculated Property
η	0.0006502	Pa×s	381.18	Calculated Property
η	0.0004991	Pa×s	405.74	Calculated Property
η	0.0003948	Pa×s	430.29	Calculated Property
η	0.0003203	Pa×s	454.85	Calculated Property
η	0.0002655	Pa×s	479.40	Calculated Property
η	0.0002241	Pa×s	503.95	Calculated Property
η	0.0001922	Pa×s	528.51	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2,6-dimethylbenzoate.

Sources

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

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