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

InChI

InChI=1S/C22H34O4/c1-16(2)10-9-15-25-19(23)13-8-14-20(24)26-21-17(3)11-7-12-18(21)22(4,5)6/h7,11-12,16H,8-10,13-15H2,1-6H3

InChI Key

CYXKAPIEUFSXRI-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

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

Molecular Weight¹

362.50

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[450.93; 1047.95]	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			2.24600e+00
Coefficient B			1.91812e+00
Coefficient C			-1.05592e-03
Coefficient D			1.83500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	450.93	J/mol×K	273.00	Calculated Property
Cp,gas	556.80	J/mol×K	353.78	Calculated Property
Cp,gas	651.44	J/mol×K	434.56	Calculated Property
Cp,gas	735.41	J/mol×K	515.33	Calculated Property
Cp,gas	809.31	J/mol×K	596.11	Calculated Property
Cp,gas	873.71	J/mol×K	676.89	Calculated Property
Cp,gas	929.19	J/mol×K	757.67	Calculated Property
Cp,gas	976.34	J/mol×K	838.44	Calculated Property
Cp,gas	1015.73	J/mol×K	919.22	Calculated Property
Cp,gas	1047.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006641; 0.0000426]	Pa×s	[461.24; 739.12]	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			-1.46249e+01
Coefficient B			3.37066e+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.			461.24
Temperature range, max.			739.12
η	0.0006641	Pa×s	461.24	Calculated Property
η	0.0004198	Pa×s	492.12	Calculated Property
η	0.0002802	Pa×s	522.99	Calculated Property
η	0.0001956	Pa×s	553.87	Calculated Property
η	0.0001419	Pa×s	584.74	Calculated Property
η	0.0001063	Pa×s	615.62	Calculated Property
η	0.0000818	Pa×s	646.49	Calculated Property
η	0.0000645	Pa×s	677.37	Calculated Property
η	0.0000519	Pa×s	708.24	Calculated Property
η	0.0000426	Pa×s	739.12	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isohexyl 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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