Chemical Properties of Sebacic acid, 4-heptyl isobutyl ester

InChI

InChI=1S/C21H40O4/c1-5-13-19(14-6-2)25-21(23)16-12-10-8-7-9-11-15-20(22)24-17-18(3)4/h18-19H,5-17H2,1-4H3

InChI Key

WWPHUQVOGNLDRG-UHFFFAOYSA-N

Formula

C21H40O4

SMILES

CCCC(CCC)OC(=O)CCCCCCCCC(=O)OCC(C)C

Molecular Weight¹

356.55

• 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).
• 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 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	[483.02; 1120.03]	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			3.12530e+01
Coefficient B			1.90108e+00
Coefficient C			-9.35800e-04
Coefficient D			1.23500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	483.02	J/mol×K	273.00	Calculated Property
Cp,gas	592.16	J/mol×K	353.78	Calculated Property
Cp,gas	690.80	J/mol×K	434.56	Calculated Property
Cp,gas	779.33	J/mol×K	515.33	Calculated Property
Cp,gas	858.13	J/mol×K	596.11	Calculated Property
Cp,gas	927.61	J/mol×K	676.89	Calculated Property
Cp,gas	988.15	J/mol×K	757.67	Calculated Property
Cp,gas	1040.14	J/mol×K	838.44	Calculated Property
Cp,gas	1083.97	J/mol×K	919.22	Calculated Property
Cp,gas	1120.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022441; 0.0000582]	Pa×s	[381.09; 684.07]	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			-1.43465e+01
Coefficient B			3.14288e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			381.09
Temperature range, max.			684.07
η	0.0022441	Pa×s	381.09	Calculated Property
η	0.0011490	Pa×s	414.75	Calculated Property
η	0.0006505	Pa×s	448.42	Calculated Property
η	0.0003987	Pa×s	482.08	Calculated Property
η	0.0002605	Pa×s	515.75	Calculated Property
η	0.0001794	Pa×s	549.41	Calculated Property
η	0.0001289	Pa×s	583.08	Calculated Property
η	0.0000961	Pa×s	616.74	Calculated Property
η	0.0000738	Pa×s	650.41	Calculated Property
η	0.0000582	Pa×s	684.07	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-heptyl isobutyl ester.

Sources

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

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