Chemical Properties of Adipic acid, 2-chloro-5-methylphenyl isobutyl ester

InChI

InChI=1S/C17H23ClO4/c1-12(2)11-21-16(19)6-4-5-7-17(20)22-15-10-13(3)8-9-14(15)18/h8-10,12H,4-7,11H2,1-3H3

InChI Key

PRIYAETYHQFLRD-UHFFFAOYSA-N

Formula

C17H23ClO4

SMILES

Cc1ccc(Cl)c(OC(=O)CCCCC(=O)OCC(C)C)c1

Molecular Weight¹

326.81

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[359.73; 796.79]	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			4.41550e+01
Coefficient B			1.32406e+00
Coefficient C			-6.32520e-04
Coefficient D			6.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.73	J/mol×K	273.00	Calculated Property
Cp,gas	436.12	J/mol×K	353.78	Calculated Property
Cp,gas	505.10	J/mol×K	434.56	Calculated Property
Cp,gas	566.87	J/mol×K	515.33	Calculated Property
Cp,gas	621.62	J/mol×K	596.11	Calculated Property
Cp,gas	669.54	J/mol×K	676.89	Calculated Property
Cp,gas	710.82	J/mol×K	757.67	Calculated Property
Cp,gas	745.66	J/mol×K	838.44	Calculated Property
Cp,gas	774.26	J/mol×K	919.22	Calculated Property
Cp,gas	796.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009614; 0.0000847]	Pa×s	[432.39; 687.53]	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			-1.34936e+01
Coefficient B			2.83064e+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.			432.39
Temperature range, max.			687.53
η	0.0009614	Pa×s	432.39	Calculated Property
η	0.0006427	Pa×s	460.74	Calculated Property
η	0.0004501	Pa×s	489.09	Calculated Property
η	0.0003278	Pa×s	517.44	Calculated Property
η	0.0002467	Pa×s	545.79	Calculated Property
η	0.0001910	Pa×s	574.14	Calculated Property
η	0.0001514	Pa×s	602.48	Calculated Property
η	0.0001226	Pa×s	630.83	Calculated Property
η	0.0001011	Pa×s	659.18	Calculated Property
η	0.0000847	Pa×s	687.53	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2-chloro-5-methylphenyl isobutyl ester.

Sources

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

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