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

InChI

InChI=1S/C26H30O6/c1-19(27)21-13-9-11-15-23(21)31-25(29)17-7-5-3-4-6-8-18-26(30)32-24-16-12-10-14-22(24)20(2)28/h9-16H,3-8,17-18H2,1-2H3

InChI Key

MSKCJRWMWHHQJW-UHFFFAOYSA-N

Formula

C26H30O6

SMILES

CC(=O)c1ccccc1OC(=O)CCCCCCCCC(=O)Oc1ccccc1C(C)=O

Molecular Weight¹

438.51

• 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).
• 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 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	[482.15; 1111.82]	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			5.57800e+00
Coefficient B			2.03144e+00
Coefficient C			-1.09232e-03
Coefficient D			1.67120e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	482.15	J/mol×K	273.00	Calculated Property
Cp,gas	594.94	J/mol×K	353.78	Calculated Property
Cp,gas	695.79	J/mol×K	434.56	Calculated Property
Cp,gas	785.23	J/mol×K	515.33	Calculated Property
Cp,gas	863.79	J/mol×K	596.11	Calculated Property
Cp,gas	931.99	J/mol×K	676.89	Calculated Property
Cp,gas	990.36	J/mol×K	757.67	Calculated Property
Cp,gas	1039.44	J/mol×K	838.44	Calculated Property
Cp,gas	1079.75	J/mol×K	919.22	Calculated Property
Cp,gas	1111.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001922; 0.0000292]	Pa×s	[645.18; 927.33]	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			-1.47486e+01
Coefficient B			3.99474e+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.			645.18
Temperature range, max.			927.33
η	0.0001922	Pa×s	645.18	Calculated Property
η	0.0001443	Pa×s	676.53	Calculated Property
η	0.0001111	Pa×s	707.88	Calculated Property
η	0.0000874	Pa×s	739.23	Calculated Property
η	0.0000702	Pa×s	770.58	Calculated Property
η	0.0000573	Pa×s	801.93	Calculated Property
η	0.0000475	Pa×s	833.28	Calculated Property
η	0.0000399	Pa×s	864.63	Calculated Property
η	0.0000340	Pa×s	895.98	Calculated Property
η	0.0000292	Pa×s	927.33	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2-acetylphenyl) 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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