Chemical Properties of Glutaric acid, 4-chloro-3-methylphenyl isobutyl ester

InChI

InChI=1S/C16H21ClO4/c1-11(2)10-20-15(18)5-4-6-16(19)21-13-7-8-14(17)12(3)9-13/h7-9,11H,4-6,10H2,1-3H3

InChI Key

WCGFWMCMFLOANF-UHFFFAOYSA-N

Formula

C16H21ClO4

SMILES

Cc1cc(OC(=O)CCCC(=O)OCC(C)C)ccc1Cl

Molecular Weight¹

312.79

• 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	[338.51; 745.20]	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			4.50640e+01
Coefficient B			1.22906e+00
Coefficient C			-5.78120e-04
Coefficient D			4.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	338.51	J/mol×K	273.00	Calculated Property
Cp,gas	409.70	J/mol×K	353.78	Calculated Property
Cp,gas	474.02	J/mol×K	434.56	Calculated Property
Cp,gas	531.64	J/mol×K	515.33	Calculated Property
Cp,gas	582.71	J/mol×K	596.11	Calculated Property
Cp,gas	627.38	J/mol×K	676.89	Calculated Property
Cp,gas	665.81	J/mol×K	757.67	Calculated Property
Cp,gas	698.15	J/mol×K	838.44	Calculated Property
Cp,gas	724.56	J/mol×K	919.22	Calculated Property
Cp,gas	745.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010697; 0.0000942]	Pa×s	[421.12; 672.61]	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			-1.33385e+01
Coefficient B			2.73648e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			421.12
Temperature range, max.			672.61
η	0.0010697	Pa×s	421.12	Calculated Property
η	0.0007139	Pa×s	449.06	Calculated Property
η	0.0004996	Pa×s	477.01	Calculated Property
η	0.0003637	Pa×s	504.95	Calculated Property
η	0.0002737	Pa×s	532.89	Calculated Property
η	0.0002120	Pa×s	560.83	Calculated Property
η	0.0001681	Pa×s	588.78	Calculated Property
η	0.0001362	Pa×s	616.72	Calculated Property
η	0.0001124	Pa×s	644.66	Calculated Property
η	0.0000942	Pa×s	672.61	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-chloro-3-methylphenyl isobutyl 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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