Chemical Properties of Glutraic acid, cis-non-3-enyl octyl ester

InChI

InChI=1S/C22H40O4/c1-3-5-7-9-11-13-15-20-26-22(24)18-16-17-21(23)25-19-14-12-10-8-6-4-2/h11,13H,3-10,12,14-20H2,1-2H3/b13-11+

InChI Key

BFTZCJHXQVIOBO-QBFSEMIESA-N

Formula

C22H40O4

SMILES

CCCCC/C=C\CCOC(=O)CCCC(=O)OCCCCCCCC

Molecular Weight¹

368.56

• 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	[490.86; 1139.97]	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			1.95260e+01
Coefficient B			2.00424e+00
Coefficient C			-1.06760e-03
Coefficient D			1.83800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	490.86	J/mol×K	273.00	Calculated Property
Cp,gas	603.10	J/mol×K	353.78	Calculated Property
Cp,gas	703.96	J/mol×K	434.56	Calculated Property
Cp,gas	794.01	J/mol×K	515.33	Calculated Property
Cp,gas	873.84	J/mol×K	596.11	Calculated Property
Cp,gas	944.03	J/mol×K	676.89	Calculated Property
Cp,gas	1005.15	J/mol×K	757.67	Calculated Property
Cp,gas	1057.79	J/mol×K	838.44	Calculated Property
Cp,gas	1102.54	J/mol×K	919.22	Calculated Property
Cp,gas	1139.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011014; 0.0000507]	Pa×s	[417.28; 706.56]	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			-1.43304e+01
Coefficient B			3.13764e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			417.28
Temperature range, max.			706.56
η	0.0011014	Pa×s	417.28	Calculated Property
η	0.0006433	Pa×s	449.42	Calculated Property
η	0.0004037	Pa×s	481.56	Calculated Property
η	0.0002685	Pa×s	513.71	Calculated Property
η	0.0001874	Pa×s	545.85	Calculated Property
η	0.0001361	Pa×s	577.99	Calculated Property
η	0.0001023	Pa×s	610.13	Calculated Property
η	0.0000791	Pa×s	642.28	Calculated Property
η	0.0000626	Pa×s	674.42	Calculated Property
η	0.0000507	Pa×s	706.56	Calculated Property

Similar Compounds

Find more compounds similar to Glutraic acid, cis-non-3-enyl octyl ester.

Sources

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

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