Chemical Properties of Sebacic acid, 2,4-dimethylpent-3-yl octyl ester

InChI

InChI=1S/C25H48O4/c1-6-7-8-9-14-17-20-28-23(26)18-15-12-10-11-13-16-19-24(27)29-25(21(2)3)22(4)5/h21-22,25H,6-20H2,1-5H3

InChI Key

BSVVYHSMJLMTTI-UHFFFAOYSA-N

Formula

C25H48O4

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)OC(C(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	[567.56; 1326.93]	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			2.59350e+01
Coefficient B			2.28700e+00
Coefficient C			-1.15660e-03
Coefficient D			1.70600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	567.56	J/mol×K	273.00	Calculated Property
Cp,gas	697.82	J/mol×K	353.78	Calculated Property
Cp,gas	815.35	J/mol×K	434.56	Calculated Property
Cp,gas	920.69	J/mol×K	515.33	Calculated Property
Cp,gas	1014.38	J/mol×K	596.11	Calculated Property
Cp,gas	1096.96	J/mol×K	676.89	Calculated Property
Cp,gas	1168.96	J/mol×K	757.67	Calculated Property
Cp,gas	1230.93	J/mol×K	838.44	Calculated Property
Cp,gas	1283.41	J/mol×K	919.22	Calculated Property
Cp,gas	1326.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015359; 0.0000289]	Pa×s	[411.17; 760.18]	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			-1.51304e+01
Coefficient B			3.55734e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			411.17
Temperature range, max.			760.18
η	0.0015359	Pa×s	411.17	Calculated Property
η	0.0007287	Pa×s	449.95	Calculated Property
η	0.0003891	Pa×s	488.73	Calculated Property
η	0.0002279	Pa×s	527.51	Calculated Property
η	0.0001436	Pa×s	566.29	Calculated Property
η	0.0000960	Pa×s	605.07	Calculated Property
η	0.0000674	Pa×s	643.84	Calculated Property
η	0.0000492	Pa×s	682.62	Calculated Property
η	0.0000372	Pa×s	721.40	Calculated Property
η	0.0000289	Pa×s	760.18	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,4-dimethylpent-3-yl octyl ester.

Sources

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

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