Chemical Properties of Sebacic acid, isobutyl pent-4-enyl ester

InChI

InChI=1S/C19H34O4/c1-4-5-12-15-22-18(20)13-10-8-6-7-9-11-14-19(21)23-16-17(2)3/h4,17H,1,5-16H2,2-3H3

InChI Key

MLJIKARCUSMHBM-UHFFFAOYSA-N

Formula

C19H34O4

SMILES

C=CCCCOC(=O)CCCCCCCCC(=O)OCC(C)C

Molecular Weight¹

326.47

• 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	[431.09; 987.80]	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			3.17620e+01
Coefficient B			1.68514e+00
Coefficient C			-8.46700e-04
Coefficient D			1.17600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	431.09	J/mol×K	273.00	Calculated Property
Cp,gas	527.16	J/mol×K	353.78	Calculated Property
Cp,gas	613.81	J/mol×K	434.56	Calculated Property
Cp,gas	691.41	J/mol×K	515.33	Calculated Property
Cp,gas	760.33	J/mol×K	596.11	Calculated Property
Cp,gas	820.95	J/mol×K	676.89	Calculated Property
Cp,gas	873.63	J/mol×K	757.67	Calculated Property
Cp,gas	918.75	J/mol×K	838.44	Calculated Property
Cp,gas	956.69	J/mol×K	919.22	Calculated Property
Cp,gas	987.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022524; 0.0000864]	Pa×s	[371.79; 646.69]	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			-1.37656e+01
Coefficient B			2.85158e+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.			371.79
Temperature range, max.			646.69
η	0.0022524	Pa×s	371.79	Calculated Property
η	0.0012582	Pa×s	402.33	Calculated Property
η	0.0007631	Pa×s	432.88	Calculated Property
η	0.0004943	Pa×s	463.42	Calculated Property
η	0.0003379	Pa×s	493.97	Calculated Property
η	0.0002414	Pa×s	524.51	Calculated Property
η	0.0001790	Pa×s	555.06	Calculated Property
η	0.0001369	Pa×s	585.60	Calculated Property
η	0.0001076	Pa×s	616.15	Calculated Property
η	0.0000864	Pa×s	646.69	Calculated Property

Similar Compounds

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

Sources

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

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