Chemical Properties of Sebacic acid, di(2,6-dimethoxyphenyl) ester

InChI

InChI=1S/C26H34O8/c1-29-19-13-11-14-20(30-2)25(19)33-23(27)17-9-7-5-6-8-10-18-24(28)34-26-21(31-3)15-12-16-22(26)32-4/h11-16H,5-10,17-18H2,1-4H3

InChI Key

PLSUQFFUSMXNBZ-UHFFFAOYSA-N

Formula

C26H34O8

SMILES

COc1cccc(OC)c1OC(=O)CCCCCCCCC(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

474.55

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[547.02; 1201.70]	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			1.21458e+02
Coefficient B			1.71568e+00
Coefficient C			-5.51640e-04
Coefficient D			-8.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	547.02	J/mol×K	273.00	Calculated Property
Cp,gas	655.67	J/mol×K	353.78	Calculated Property
Cp,gas	755.97	J/mol×K	434.56	Calculated Property
Cp,gas	847.64	J/mol×K	515.33	Calculated Property
Cp,gas	930.42	J/mol×K	596.11	Calculated Property
Cp,gas	1004.04	J/mol×K	676.89	Calculated Property
Cp,gas	1068.25	J/mol×K	757.67	Calculated Property
Cp,gas	1122.77	J/mol×K	838.44	Calculated Property
Cp,gas	1167.34	J/mol×K	919.22	Calculated Property
Cp,gas	1201.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000540; 0.0000101]	Pa×s	[659.28; 920.93]	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			-1.57236e+01
Coefficient B			3.88820e+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.			659.28
Temperature range, max.			920.93
η	0.0000540	Pa×s	659.28	Calculated Property
η	0.0000421	Pa×s	688.35	Calculated Property
η	0.0000335	Pa×s	717.43	Calculated Property
η	0.0000271	Pa×s	746.50	Calculated Property
η	0.0000223	Pa×s	775.57	Calculated Property
η	0.0000186	Pa×s	804.64	Calculated Property
η	0.0000157	Pa×s	833.72	Calculated Property
η	0.0000134	Pa×s	862.79	Calculated Property
η	0.0000116	Pa×s	891.86	Calculated Property
η	0.0000101	Pa×s	920.93	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2,6-dimethoxyphenyl) ester.

Sources

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

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