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

InChI

InChI=1S/C22H42O4/c1-5-6-7-14-17-25-21(23)15-12-10-8-9-11-13-16-22(24)26-20(4)18-19(2)3/h19-20H,5-18H2,1-4H3

InChI Key

IOUHJCXJVJJKQL-UHFFFAOYSA-N

Formula

C22H42O4

SMILES

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

Molecular Weight¹

370.57

• 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	[504.23; 1171.62]	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			3.03440e+01
Coefficient B			1.99608e+00
Coefficient C			-9.90200e-04
Coefficient D			1.35400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	504.23	J/mol×K	273.00	Calculated Property
Cp,gas	618.58	J/mol×K	353.78	Calculated Property
Cp,gas	721.87	J/mol×K	434.56	Calculated Property
Cp,gas	814.56	J/mol×K	515.33	Calculated Property
Cp,gas	897.04	J/mol×K	596.11	Calculated Property
Cp,gas	969.77	J/mol×K	676.89	Calculated Property
Cp,gas	1033.17	J/mol×K	757.67	Calculated Property
Cp,gas	1087.65	J/mol×K	838.44	Calculated Property
Cp,gas	1133.66	J/mol×K	919.22	Calculated Property
Cp,gas	1171.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019174; 0.0000503]	Pa×s	[392.36; 702.38]	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			-1.45069e+01
Coefficient B			3.23704e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			392.36
Temperature range, max.			702.38
η	0.0019174	Pa×s	392.36	Calculated Property
η	0.0009852	Pa×s	426.81	Calculated Property
η	0.0005592	Pa×s	461.25	Calculated Property
η	0.0003434	Pa×s	495.70	Calculated Property
η	0.0002246	Pa×s	530.15	Calculated Property
η	0.0001548	Pa×s	564.59	Calculated Property
η	0.0001113	Pa×s	599.04	Calculated Property
η	0.0000830	Pa×s	633.48	Calculated Property
η	0.0000637	Pa×s	667.93	Calculated Property
η	0.0000503	Pa×s	702.38	Calculated Property

Similar Compounds

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

Sources

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

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