Chemical Properties of Sebacic acid, isobutyl neopentyl ester

InChI

InChI=1S/C19H36O4/c1-16(2)14-22-17(20)12-10-8-6-7-9-11-13-18(21)23-15-19(3,4)5/h16H,6-15H2,1-5H3

InChI Key

UPTDVCUNQTYABS-UHFFFAOYSA-N

Formula

C19H36O4

SMILES

CC(C)COC(=O)CCCCCCCCC(=O)OCC(C)(C)C

Molecular Weight¹

328.49

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[439.44; 1017.78]	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			1.02800e+01
Coefficient B			1.83100e+00
Coefficient C			-9.95600e-04
Coefficient D			1.72100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	439.44	J/mol×K	273.00	Calculated Property
Cp,gas	541.06	J/mol×K	353.78	Calculated Property
Cp,gas	632.07	J/mol×K	434.56	Calculated Property
Cp,gas	713.01	J/mol×K	515.33	Calculated Property
Cp,gas	784.43	J/mol×K	596.11	Calculated Property
Cp,gas	846.88	J/mol×K	676.89	Calculated Property
Cp,gas	900.89	J/mol×K	757.67	Calculated Property
Cp,gas	947.01	J/mol×K	838.44	Calculated Property
Cp,gas	985.80	J/mol×K	919.22	Calculated Property
Cp,gas	1017.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023988; 0.0000702]	Pa×s	[375.97; 648.80]	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			-1.44305e+01
Coefficient B			3.15728e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			375.97
Temperature range, max.			648.80
η	0.0023988	Pa×s	375.97	Calculated Property
η	0.0012820	Pa×s	406.28	Calculated Property
η	0.0007474	Pa×s	436.60	Calculated Property
η	0.0004673	Pa×s	466.91	Calculated Property
η	0.0003095	Pa×s	497.23	Calculated Property
η	0.0002149	Pa×s	527.54	Calculated Property
η	0.0001552	Pa×s	557.85	Calculated Property
η	0.0001159	Pa×s	588.17	Calculated Property
η	0.0000891	Pa×s	618.48	Calculated Property
η	0.0000702	Pa×s	648.80	Calculated Property

Similar Compounds

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

Sources

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

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