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

InChI

InChI=1S/C22H34O6/c1-17(2)16-27-20(23)14-9-7-5-6-8-10-15-21(24)28-22-18(25-3)12-11-13-19(22)26-4/h11-13,17H,5-10,14-16H2,1-4H3

InChI Key

TUWPXKBCVGBSMR-UHFFFAOYSA-N

Formula

C22H34O6

SMILES

COc1cccc(OC)c1OC(=O)CCCCCCCCC(=O)OCC(C)C

Molecular Weight¹

394.51

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[483.20; 1083.48]	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			7.77190e+01
Coefficient B			1.66588e+00
Coefficient C			-6.62120e-04
Coefficient D			2.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	483.20	J/mol×K	273.00	Calculated Property
Cp,gas	584.29	J/mol×K	353.78	Calculated Property
Cp,gas	676.77	J/mol×K	434.56	Calculated Property
Cp,gas	760.64	J/mol×K	515.33	Calculated Property
Cp,gas	835.91	J/mol×K	596.11	Calculated Property
Cp,gas	902.59	J/mol×K	676.89	Calculated Property
Cp,gas	960.67	J/mol×K	757.67	Calculated Property
Cp,gas	1010.18	J/mol×K	838.44	Calculated Property
Cp,gas	1051.12	J/mol×K	919.22	Calculated Property
Cp,gas	1083.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003116; 0.0000300]	Pa×s	[503.28; 773.37]	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			-1.47784e+01
Coefficient B			3.37430e+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.			503.28
Temperature range, max.			773.37
η	0.0003116	Pa×s	503.28	Calculated Property
η	0.0002137	Pa×s	533.29	Calculated Property
η	0.0001525	Pa×s	563.30	Calculated Property
η	0.0001127	Pa×s	593.31	Calculated Property
η	0.0000857	Pa×s	623.32	Calculated Property
η	0.0000668	Pa×s	653.33	Calculated Property
η	0.0000533	Pa×s	683.34	Calculated Property
η	0.0000433	Pa×s	713.35	Calculated Property
η	0.0000357	Pa×s	743.36	Calculated Property
η	0.0000300	Pa×s	773.37	Calculated Property

Similar Compounds

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

Sources

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

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