Chemical Properties of Sebacic acid, decyl neopentyl ester

InChI

InChI=1S/C25H48O4/c1-5-6-7-8-9-12-15-18-21-28-23(26)19-16-13-10-11-14-17-20-24(27)29-22-25(2,3)4/h5-22H2,1-4H3

InChI Key

QXFFZSZGIXCOCM-UHFFFAOYSA-N

Formula

C25H48O4

SMILES

CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(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	[567.04; 1326.79]	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			6.50800e+00
Coefficient B			2.39508e+00
Coefficient C			-1.31880e-03
Coefficient D			2.44000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	567.04	J/mol×K	273.00	Calculated Property
Cp,gas	699.58	J/mol×K	353.78	Calculated Property
Cp,gas	818.29	J/mol×K	434.56	Calculated Property
Cp,gas	923.93	J/mol×K	515.33	Calculated Property
Cp,gas	1017.29	J/mol×K	596.11	Calculated Property
Cp,gas	1099.14	J/mol×K	676.89	Calculated Property
Cp,gas	1170.24	J/mol×K	757.67	Calculated Property
Cp,gas	1231.37	J/mol×K	838.44	Calculated Property
Cp,gas	1283.29	J/mol×K	919.22	Calculated Property
Cp,gas	1326.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007259; 0.0000303]	Pa×s	[458.59; 758.55]	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			-1.52624e+01
Coefficient B			3.68442e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			458.59
Temperature range, max.			758.55
η	0.0007259	Pa×s	458.59	Calculated Property
η	0.0004212	Pa×s	491.92	Calculated Property
η	0.0002618	Pa×s	525.25	Calculated Property
η	0.0001723	Pa×s	558.58	Calculated Property
η	0.0001188	Pa×s	591.90	Calculated Property
η	0.0000853	Pa×s	625.23	Calculated Property
η	0.0000633	Pa×s	658.56	Calculated Property
η	0.0000483	Pa×s	691.89	Calculated Property
η	0.0000378	Pa×s	725.22	Calculated Property
η	0.0000303	Pa×s	758.55	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, decyl neopentyl ester.

Sources

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

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