Chemical Properties of Adipic acid, 2,3-dimethylphenyl hexyl ester

InChI

InChI=1S/C20H30O4/c1-4-5-6-9-15-23-19(21)13-7-8-14-20(22)24-18-12-10-11-16(2)17(18)3/h10-12H,4-9,13-15H2,1-3H3

InChI Key

PWDRTIDWCXREQQ-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCCCOC(=O)CCCCC(=O)Oc1cccc(C)c1C

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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, 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	[410.28; 942.76]	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			3.02190e+01
Coefficient B			1.59636e+00
Coefficient C			-7.72120e-04
Coefficient D			8.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	410.28	J/mol×K	273.00	Calculated Property
Cp,gas	502.25	J/mol×K	353.78	Calculated Property
Cp,gas	585.37	J/mol×K	434.56	Calculated Property
Cp,gas	659.91	J/mol×K	515.33	Calculated Property
Cp,gas	726.16	J/mol×K	596.11	Calculated Property
Cp,gas	784.39	J/mol×K	676.89	Calculated Property
Cp,gas	834.89	J/mol×K	757.67	Calculated Property
Cp,gas	877.93	J/mol×K	838.44	Calculated Property
Cp,gas	913.79	J/mol×K	919.22	Calculated Property
Cp,gas	942.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007432; 0.0000737]	Pa×s	[451.28; 704.17]	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			-1.36395e+01
Coefficient B			2.90398e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			451.28
Temperature range, max.			704.17
η	0.0007432	Pa×s	451.28	Calculated Property
η	0.0005097	Pa×s	479.38	Calculated Property
η	0.0003645	Pa×s	507.48	Calculated Property
η	0.0002699	Pa×s	535.58	Calculated Property
η	0.0002060	Pa×s	563.67	Calculated Property
η	0.0001613	Pa×s	591.77	Calculated Property
η	0.0001291	Pa×s	619.87	Calculated Property
η	0.0001054	Pa×s	647.97	Calculated Property
η	0.0000875	Pa×s	676.07	Calculated Property
η	0.0000737	Pa×s	704.17	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2,3-dimethylphenyl hexyl ester.

Sources

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

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