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

InChI

InChI=1S/C25H48O4/c1-6-7-8-9-12-15-18-21-28-23(26)19-16-13-10-11-14-17-20-24(27)29-22(2)25(3,4)5/h22H,6-21H2,1-5H3

InChI Key

QGHREQIEDATTDU-UHFFFAOYSA-N

Formula

C25H48O4

SMILES

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

Molecular Weight¹

412.65

• 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	[566.73; 1327.33]	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			4.82600e+00
Coefficient B			2.40100e+00
Coefficient C			-1.32200e-03
Coefficient D			2.43500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	566.73	J/mol×K	273.00	Calculated Property
Cp,gas	699.57	J/mol×K	353.78	Calculated Property
Cp,gas	818.53	J/mol×K	434.56	Calculated Property
Cp,gas	924.38	J/mol×K	515.33	Calculated Property
Cp,gas	1017.90	J/mol×K	596.11	Calculated Property
Cp,gas	1099.84	J/mol×K	676.89	Calculated Property
Cp,gas	1170.99	J/mol×K	757.67	Calculated Property
Cp,gas	1232.10	J/mol×K	838.44	Calculated Property
Cp,gas	1283.96	J/mol×K	919.22	Calculated Property
Cp,gas	1327.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009071; 0.0000279]	Pa×s	[443.59; 757.99]	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			-1.53964e+01
Coefficient B			3.72224e+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.			443.59
Temperature range, max.			757.99
η	0.0009071	Pa×s	443.59	Calculated Property
η	0.0004916	Pa×s	478.52	Calculated Property
η	0.0002896	Pa×s	513.46	Calculated Property
η	0.0001825	Pa×s	548.39	Calculated Property
η	0.0001215	Pa×s	583.32	Calculated Property
η	0.0000847	Pa×s	618.26	Calculated Property
η	0.0000614	Pa×s	653.19	Calculated Property
η	0.0000460	Pa×s	688.12	Calculated Property
η	0.0000354	Pa×s	723.06	Calculated Property
η	0.0000279	Pa×s	757.99	Calculated Property

Similar Compounds

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

Sources

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

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