Chemical Properties of Sebacic acid, nonyl 3-oxobut-2-yl ester

InChI

InChI=1S/C23H42O5/c1-4-5-6-7-10-13-16-19-27-22(25)17-14-11-8-9-12-15-18-23(26)28-21(3)20(2)24/h21H,4-19H2,1-3H3

InChI Key

PINYLZBQIINVQQ-UHFFFAOYSA-N

Formula

C23H42O5

SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(C)C(C)=O

Molecular Weight¹

398.58

• 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_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 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	[526.68; 1211.70]	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			3.84760e+01
Coefficient B			2.05716e+00
Coefficient C			-1.02270e-03
Coefficient D			1.38760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	526.68	J/mol×K	273.00	Calculated Property
Cp,gas	644.40	J/mol×K	353.78	Calculated Property
Cp,gas	750.69	J/mol×K	434.56	Calculated Property
Cp,gas	845.99	J/mol×K	515.33	Calculated Property
Cp,gas	930.75	J/mol×K	596.11	Calculated Property
Cp,gas	1005.40	J/mol×K	676.89	Calculated Property
Cp,gas	1070.38	J/mol×K	757.67	Calculated Property
Cp,gas	1126.13	J/mol×K	838.44	Calculated Property
Cp,gas	1173.09	J/mol×K	919.22	Calculated Property
Cp,gas	1211.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008285; 0.0000436]	Pa×s	[468.56; 767.77]	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			-1.46501e+01
Coefficient B			3.53957e+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.			468.56
Temperature range, max.			767.77
η	0.0008285	Pa×s	468.56	Calculated Property
η	0.0005022	Pa×s	501.81	Calculated Property
η	0.0003240	Pa×s	535.05	Calculated Property
η	0.0002200	Pa×s	568.30	Calculated Property
η	0.0001560	Pa×s	601.54	Calculated Property
η	0.0001146	Pa×s	634.79	Calculated Property
η	0.0000868	Pa×s	668.04	Calculated Property
η	0.0000675	Pa×s	701.28	Calculated Property
η	0.0000537	Pa×s	734.53	Calculated Property
η	0.0000436	Pa×s	767.77	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, nonyl 3-oxobut-2-yl ester.

Sources

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

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