Chemical Properties of Glutaric acid, 3-methylbut-2-yl 2-isopropylphenyl ester

InChI

InChI=1S/C19H28O4/c1-13(2)15(5)22-18(20)11-8-12-19(21)23-17-10-7-6-9-16(17)14(3)4/h6-7,9-10,13-15H,8,11-12H2,1-5H3

InChI Key

ZRXZLJHDDTZFME-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CC(C)c1ccccc1OC(=O)CCCC(=O)OC(C)C(C)C

Molecular Weight¹

320.43

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[385.57; 895.82]	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			1.17830e+01
Coefficient B			1.57860e+00
Coefficient C			-7.94360e-04
Coefficient D			9.98000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.57	J/mol×K	273.00	Calculated Property
Cp,gas	475.25	J/mol×K	353.78	Calculated Property
Cp,gas	555.96	J/mol×K	434.56	Calculated Property
Cp,gas	627.99	J/mol×K	515.33	Calculated Property
Cp,gas	691.67	J/mol×K	596.11	Calculated Property
Cp,gas	747.31	J/mol×K	676.89	Calculated Property
Cp,gas	795.23	J/mol×K	757.67	Calculated Property
Cp,gas	835.75	J/mol×K	838.44	Calculated Property
Cp,gas	869.17	J/mol×K	919.22	Calculated Property
Cp,gas	895.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020242; 0.0000641]	Pa×s	[382.49; 687.97]	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			-1.39793e+01
Coefficient B			2.97454e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			382.49
Temperature range, max.			687.97
η	0.0020242	Pa×s	382.49	Calculated Property
η	0.0010739	Pa×s	416.43	Calculated Property
η	0.0006269	Pa×s	450.38	Calculated Property
η	0.0003946	Pa×s	484.32	Calculated Property
η	0.0002639	Pa×s	518.26	Calculated Property
η	0.0001855	Pa×s	552.20	Calculated Property
η	0.0001358	Pa×s	586.15	Calculated Property
η	0.0001028	Pa×s	620.09	Calculated Property
η	0.0000802	Pa×s	654.03	Calculated Property
η	0.0000641	Pa×s	687.97	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2-isopropylphenyl 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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