Chemical Properties of Sebacic acid, 2,6-dimethoxyphenyl heptyl ester

InChI

InChI=1S/C25H40O6/c1-4-5-6-11-14-20-30-23(26)18-12-9-7-8-10-13-19-24(27)31-25-21(28-2)16-15-17-22(25)29-3/h15-17H,4-14,18-20H2,1-3H3

InChI Key

GSBHLIQGWQDJKJ-UHFFFAOYSA-N

Formula

C25H40O6

SMILES

CCCCCCCOC(=O)CCCCCCCCC(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

436.59

• 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	[547.15; 1237.71]	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			7.66740e+01
Coefficient B			1.94496e+00
Coefficient C			-8.22120e-04
Coefficient D			3.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	547.15	J/mol×K	273.00	Calculated Property
Cp,gas	663.55	J/mol×K	353.78	Calculated Property
Cp,gas	769.75	J/mol×K	434.56	Calculated Property
Cp,gas	865.88	J/mol×K	515.33	Calculated Property
Cp,gas	952.04	J/mol×K	596.11	Calculated Property
Cp,gas	1028.37	J/mol×K	676.89	Calculated Property
Cp,gas	1094.98	J/mol×K	757.67	Calculated Property
Cp,gas	1151.99	J/mol×K	838.44	Calculated Property
Cp,gas	1199.53	J/mol×K	919.22	Calculated Property
Cp,gas	1237.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001869; 0.0000207]	Pa×s	[552.09; 831.35]	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			-1.51400e+01
Coefficient B			3.61896e+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.			552.09
Temperature range, max.			831.35
η	0.0001869	Pa×s	552.09	Calculated Property
η	0.0001319	Pa×s	583.12	Calculated Property
η	0.0000964	Pa×s	614.15	Calculated Property
η	0.0000726	Pa×s	645.18	Calculated Property
η	0.0000561	Pa×s	676.21	Calculated Property
η	0.0000444	Pa×s	707.24	Calculated Property
η	0.0000358	Pa×s	738.27	Calculated Property
η	0.0000294	Pa×s	769.30	Calculated Property
η	0.0000245	Pa×s	800.33	Calculated Property
η	0.0000207	Pa×s	831.35	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,6-dimethoxyphenyl heptyl ester.

Sources

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

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