Chemical Properties of Sebacic acid, 4-methylpent-2-yl octyl ester

InChI

InChI=1S/C24H46O4/c1-5-6-7-8-13-16-19-27-23(25)17-14-11-9-10-12-15-18-24(26)28-22(4)20-21(2)3/h21-22H,5-20H2,1-4H3

InChI Key

CEYDDXPXNFMSLP-UHFFFAOYSA-N

Formula

C24H46O4

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)OC(C)CC(C)C

Molecular Weight¹

398.62

• 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	[546.66; 1274.81]	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			2.85260e+01
Coefficient B			2.18608e+00
Coefficient C			-1.09900e-03
Coefficient D			1.59200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	546.66	J/mol×K	273.00	Calculated Property
Cp,gas	671.41	J/mol×K	353.78	Calculated Property
Cp,gas	784.03	J/mol×K	434.56	Calculated Property
Cp,gas	885.01	J/mol×K	515.33	Calculated Property
Cp,gas	974.87	J/mol×K	596.11	Calculated Property
Cp,gas	1054.09	J/mol×K	676.89	Calculated Property
Cp,gas	1123.20	J/mol×K	757.67	Calculated Property
Cp,gas	1182.68	J/mol×K	838.44	Calculated Property
Cp,gas	1233.05	J/mol×K	919.22	Calculated Property
Cp,gas	1274.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013933; 0.0000369]	Pa×s	[414.90; 740.71]	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			-1.48320e+01
Coefficient B			3.42536e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			414.90
Temperature range, max.			740.71
η	0.0013933	Pa×s	414.90	Calculated Property
η	0.0007183	Pa×s	451.10	Calculated Property
η	0.0004086	Pa×s	487.30	Calculated Property
η	0.0002513	Pa×s	523.50	Calculated Property
η	0.0001646	Pa×s	559.70	Calculated Property
η	0.0001135	Pa×s	595.91	Calculated Property
η	0.0000817	Pa×s	632.11	Calculated Property
η	0.0000609	Pa×s	668.31	Calculated Property
η	0.0000468	Pa×s	704.51	Calculated Property
η	0.0000369	Pa×s	740.71	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-methylpent-2-yl octyl ester.

Sources

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

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