Chemical Properties of Adipic acid, 3,4-bis(3',4'-dimethoxyphenyl)-, dimethyl ester

InChI

InChI=1S/C24H30O8/c1-27-19-9-7-15(11-21(19)29-3)17(13-23(25)31-5)18(14-24(26)32-6)16-8-10-20(28-2)22(12-16)30-4/h7-12,17-18H,13-14H2,1-6H3

InChI Key

BFGVZIILGIKTHG-UHFFFAOYSA-N

Formula

C24H30O8

SMILES

COC(=O)CC(c1ccc(OC)c(OC)c1)C(CC(=O)OC)c1ccc(OC)c(OC)c1

Molecular Weight¹

446.50

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 formation at standard conditions, 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	[503.96; 1099.59]	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			1.19912e+02
Coefficient B			1.53752e+00
Coefficient C			-4.49240e-04
Coefficient D			-1.08600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	503.96	J/mol×K	273.00	Calculated Property
Cp,gas	602.82	J/mol×K	353.78	Calculated Property
Cp,gas	694.30	J/mol×K	434.56	Calculated Property
Cp,gas	778.08	J/mol×K	515.33	Calculated Property
Cp,gas	853.80	J/mol×K	596.11	Calculated Property
Cp,gas	921.13	J/mol×K	676.89	Calculated Property
Cp,gas	979.71	J/mol×K	757.67	Calculated Property
Cp,gas	1029.22	J/mol×K	838.44	Calculated Property
Cp,gas	1069.29	J/mol×K	919.22	Calculated Property
Cp,gas	1099.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000801; 0.0000115]	Pa×s	[606.74; 881.24]	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			-1.56546e+01
Coefficient B			3.77552e+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.			606.74
Temperature range, max.			881.24
η	0.0000801	Pa×s	606.74	Calculated Property
η	0.0000595	Pa×s	637.24	Calculated Property
η	0.0000454	Pa×s	667.74	Calculated Property
η	0.0000355	Pa×s	698.24	Calculated Property
η	0.0000283	Pa×s	728.74	Calculated Property
η	0.0000230	Pa×s	759.24	Calculated Property
η	0.0000189	Pa×s	789.74	Calculated Property
η	0.0000159	Pa×s	820.24	Calculated Property
η	0.0000134	Pa×s	850.74	Calculated Property
η	0.0000115	Pa×s	881.24	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 3,4-bis(3',4'-dimethoxyphenyl)-, dimethyl 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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