Chemical Properties of Glutaric acid, ethyl 2-tert-butyl-6-methylphenyl ester

InChI

InChI=1S/C18H26O4/c1-6-21-15(19)11-8-12-16(20)22-17-13(2)9-7-10-14(17)18(3,4)5/h7,9-10H,6,8,11-12H2,1-5H3

InChI Key

PNEWTNPEOHPNAW-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCOC(=O)CCCC(=O)Oc1c(C)cccc1C(C)(C)C

Molecular Weight¹

306.40

• 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).
• 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, Acentric Factor, Ionization energy 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	[366.39; 841.04]	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			7.56400e+00
Coefficient B			1.53220e+00
Coefficient C			-8.35120e-04
Coefficient D			1.36400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.39	J/mol×K	273.00	Calculated Property
Cp,gas	451.14	J/mol×K	353.78	Calculated Property
Cp,gas	526.88	J/mol×K	434.56	Calculated Property
Cp,gas	594.04	J/mol×K	515.33	Calculated Property
Cp,gas	653.06	J/mol×K	596.11	Calculated Property
Cp,gas	704.36	J/mol×K	676.89	Calculated Property
Cp,gas	748.38	J/mol×K	757.67	Calculated Property
Cp,gas	785.54	J/mol×K	838.44	Calculated Property
Cp,gas	816.29	J/mol×K	919.22	Calculated Property
Cp,gas	841.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009058; 0.0000760]	Pa×s	[431.16; 675.20]	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			-1.38631e+01
Coefficient B			2.95620e+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.			431.16
Temperature range, max.			675.20
η	0.0009058	Pa×s	431.16	Calculated Property
η	0.0006037	Pa×s	458.28	Calculated Property
η	0.0004210	Pa×s	485.39	Calculated Property
η	0.0003051	Pa×s	512.51	Calculated Property
η	0.0002283	Pa×s	539.62	Calculated Property
η	0.0001757	Pa×s	566.74	Calculated Property
η	0.0001384	Pa×s	593.85	Calculated Property
η	0.0001114	Pa×s	620.97	Calculated Property
η	0.0000913	Pa×s	648.09	Calculated Property
η	0.0000760	Pa×s	675.20	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 2-tert-butyl-6-methylphenyl ester.

Sources

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

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