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

InChI

InChI=1S/C20H30O4/c1-14(2)13-23-17(21)11-8-12-18(22)24-19-15(3)9-7-10-16(19)20(4,5)6/h7,9-10,14H,8,11-13H2,1-6H3

InChI Key

CYBUQWKLVCIIFA-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

Cc1cccc(C(C)(C)C)c1OC(=O)CCCC(=O)OCC(C)C

Molecular Weight¹

334.45

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[408.50; 944.76]	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			4.06400e+00
Coefficient B			1.72812e+00
Coefficient C			-9.47120e-04
Coefficient D			1.59700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	408.50	J/mol×K	273.00	Calculated Property
Cp,gas	503.97	J/mol×K	353.78	Calculated Property
Cp,gas	589.28	J/mol×K	434.56	Calculated Property
Cp,gas	664.95	J/mol×K	515.33	Calculated Property
Cp,gas	731.49	J/mol×K	596.11	Calculated Property
Cp,gas	789.39	J/mol×K	676.89	Calculated Property
Cp,gas	839.16	J/mol×K	757.67	Calculated Property
Cp,gas	881.31	J/mol×K	838.44	Calculated Property
Cp,gas	916.34	J/mol×K	919.22	Calculated Property
Cp,gas	944.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008644; 0.0000550]	Pa×s	[438.70; 707.16]	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			-1.43075e+01
Coefficient B			3.18234e+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.			438.70
Temperature range, max.			707.16
η	0.0008644	Pa×s	438.70	Calculated Property
η	0.0005447	Pa×s	468.53	Calculated Property
η	0.0003627	Pa×s	498.36	Calculated Property
η	0.0002529	Pa×s	528.19	Calculated Property
η	0.0001833	Pa×s	558.01	Calculated Property
η	0.0001372	Pa×s	587.84	Calculated Property
η	0.0001057	Pa×s	617.67	Calculated Property
η	0.0000833	Pa×s	647.50	Calculated Property
η	0.0000671	Pa×s	677.33	Calculated Property
η	0.0000550	Pa×s	707.16	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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