Chemical Properties of Sebacic acid, 4-formylphenyl nonyl ester

InChI

InChI=1S/C26H40O5/c1-2-3-4-5-8-11-14-21-30-25(28)15-12-9-6-7-10-13-16-26(29)31-24-19-17-23(22-27)18-20-24/h17-20,22H,2-16,21H2,1H3

InChI Key

LDVQTLSRHXSKOL-UHFFFAOYSA-N

Formula

C26H40O5

SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(C=O)cc1

Molecular Weight¹

432.60

• 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	[539.92; 1246.13]	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			2.18660e+01
Coefficient B			2.20032e+00
Coefficient C			-1.15856e-03
Coefficient D			1.82500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	539.92	J/mol×K	273.00	Calculated Property
Cp,gas	663.37	J/mol×K	353.78	Calculated Property
Cp,gas	774.22	J/mol×K	434.56	Calculated Property
Cp,gas	873.06	J/mol×K	515.33	Calculated Property
Cp,gas	960.47	J/mol×K	596.11	Calculated Property
Cp,gas	1037.01	J/mol×K	676.89	Calculated Property
Cp,gas	1103.27	J/mol×K	757.67	Calculated Property
Cp,gas	1159.83	J/mol×K	838.44	Calculated Property
Cp,gas	1207.25	J/mol×K	919.22	Calculated Property
Cp,gas	1246.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003731; 0.0000337]	Pa×s	[548.38; 850.40]	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			-1.46642e+01
Coefficient B			3.71283e+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.			548.38
Temperature range, max.			850.40
η	0.0003731	Pa×s	548.38	Calculated Property
η	0.0002525	Pa×s	581.94	Calculated Property
η	0.0001783	Pa×s	615.49	Calculated Property
η	0.0001305	Pa×s	649.05	Calculated Property
η	0.0000985	Pa×s	682.61	Calculated Property
η	0.0000764	Pa×s	716.17	Calculated Property
η	0.0000606	Pa×s	749.72	Calculated Property
η	0.0000490	Pa×s	783.28	Calculated Property
η	0.0000403	Pa×s	816.84	Calculated Property
η	0.0000337	Pa×s	850.40	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-formylphenyl nonyl ester.

Sources

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

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