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

InChI

InChI=1S/C28H54O4/c1-5-6-7-8-9-10-11-14-17-20-23-31-27(29)21-18-15-12-13-16-19-22-28(30)32-26(4)24-25(2)3/h25-26H,5-24H2,1-4H3

InChI Key

WENZAKKIZISGNU-UHFFFAOYSA-N

Formula

C28H54O4

SMILES

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

Molecular Weight¹

454.73

• 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	[631.51; 1481.17]	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			2.48900e+01
Coefficient B			2.56608e+00
Coefficient C			-1.31660e-03
Coefficient D			2.06800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	631.51	J/mol×K	273.00	Calculated Property
Cp,gas	777.08	J/mol×K	353.78	Calculated Property
Cp,gas	908.34	J/mol×K	434.56	Calculated Property
Cp,gas	1025.93	J/mol×K	515.33	Calculated Property
Cp,gas	1130.51	J/mol×K	596.11	Calculated Property
Cp,gas	1222.74	J/mol×K	676.89	Calculated Property
Cp,gas	1303.26	J/mol×K	757.67	Calculated Property
Cp,gas	1372.74	J/mol×K	838.44	Calculated Property
Cp,gas	1431.83	J/mol×K	919.22	Calculated Property
Cp,gas	1481.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007240; 0.0000186]	Pa×s	[459.98; 825.73]	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			-1.54963e+01
Coefficient B			3.80200e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			459.98
Temperature range, max.			825.73
η	0.0007240	Pa×s	459.98	Calculated Property
η	0.0003701	Pa×s	500.62	Calculated Property
η	0.0002093	Pa×s	541.26	Calculated Property
η	0.0001281	Pa×s	581.90	Calculated Property
η	0.0000836	Pa×s	622.54	Calculated Property
η	0.0000575	Pa×s	663.18	Calculated Property
η	0.0000413	Pa×s	703.82	Calculated Property
η	0.0000308	Pa×s	744.45	Calculated Property
η	0.0000236	Pa×s	785.09	Calculated Property
η	0.0000186	Pa×s	825.73	Calculated Property

Similar Compounds

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

Sources

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

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