Chemical Properties of Adipic acid, di(2,3-dimethylphenyl) ester

InChI

InChI=1S/C22H26O4/c1-15-9-7-11-19(17(15)3)25-21(23)13-5-6-14-22(24)26-20-12-8-10-16(2)18(20)4/h7-12H,5-6,13-14H2,1-4H3

InChI Key

HOAZLBPACVBNRI-UHFFFAOYSA-N

Formula

C22H26O4

SMILES

Cc1cccc(OC(=O)CCCCC(=O)Oc2cccc(C)c2C)c1C

Molecular Weight¹

354.45

• 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).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[400.55; 921.33]	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			2.30940e+01
Coefficient B			1.58848e+00
Coefficient C			-7.78040e-04
Coefficient D			8.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	400.55	J/mol×K	273.00	Calculated Property
Cp,gas	491.57	J/mol×K	353.78	Calculated Property
Cp,gas	573.66	J/mol×K	434.56	Calculated Property
Cp,gas	647.08	J/mol×K	515.33	Calculated Property
Cp,gas	712.13	J/mol×K	596.11	Calculated Property
Cp,gas	769.07	J/mol×K	676.89	Calculated Property
Cp,gas	818.18	J/mol×K	757.67	Calculated Property
Cp,gas	859.74	J/mol×K	838.44	Calculated Property
Cp,gas	894.04	J/mol×K	919.22	Calculated Property
Cp,gas	921.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003634; 0.0000559]	Pa×s	[525.28; 778.59]	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			-1.36754e+01
Coefficient B			3.02320e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			525.28
Temperature range, max.			778.59
η	0.0003634	Pa×s	525.28	Calculated Property
η	0.0002712	Pa×s	553.43	Calculated Property
η	0.0002082	Pa×s	581.57	Calculated Property
η	0.0001638	Pa×s	609.72	Calculated Property
η	0.0001316	Pa×s	637.86	Calculated Property
η	0.0001077	Pa×s	666.01	Calculated Property
η	0.0000896	Pa×s	694.15	Calculated Property
η	0.0000756	Pa×s	722.30	Calculated Property
η	0.0000646	Pa×s	750.44	Calculated Property
η	0.0000559	Pa×s	778.59	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, di(2,3-dimethylphenyl) 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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