Chemical Properties of Sebacic acid, diphenyl ester

InChI

InChI=1S/C22H26O4/c23-21(25-19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(24)26-20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2

InChI Key

ODVYFOLTLWONHF-UHFFFAOYSA-N

Formula

C22H26O4

SMILES

O=C(CCCCCCCCC(=O)Oc1ccccc1)Oc1ccccc1

Molecular Weight¹

354.45

• 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).
• 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, 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	[390.35; 933.50]	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			-3.41020e+01
Coefficient B			1.82640e+00
Coefficient C			-1.04620e-03
Coefficient D			1.87400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	390.35	J/mol×K	273.00	Calculated Property
Cp,gas	489.39	J/mol×K	353.78	Calculated Property
Cp,gas	577.39	J/mol×K	434.56	Calculated Property
Cp,gas	654.91	J/mol×K	515.33	Calculated Property
Cp,gas	722.57	J/mol×K	596.11	Calculated Property
Cp,gas	780.94	J/mol×K	676.89	Calculated Property
Cp,gas	830.63	J/mol×K	757.67	Calculated Property
Cp,gas	872.22	J/mol×K	838.44	Calculated Property
Cp,gas	906.31	J/mol×K	919.22	Calculated Property
Cp,gas	933.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007045; 0.0000545]	Pa×s	[475.20; 762.42]	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			-1.40514e+01
Coefficient B			3.22824e+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.			475.20
Temperature range, max.			762.42
η	0.0007045	Pa×s	475.20	Calculated Property
η	0.0004594	Pa×s	507.11	Calculated Property
η	0.0003152	Pa×s	539.03	Calculated Property
η	0.0002255	Pa×s	570.94	Calculated Property
η	0.0001672	Pa×s	602.85	Calculated Property
η	0.0001277	Pa×s	634.77	Calculated Property
η	0.0001001	Pa×s	666.68	Calculated Property
η	0.0000802	Pa×s	698.59	Calculated Property
η	0.0000656	Pa×s	730.51	Calculated Property
η	0.0000545	Pa×s	762.42	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, diphenyl ester.

Sources

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

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