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

InChI

InChI=1S/C21H38O4/c1-3-5-7-9-10-12-14-19-25-21(23)17-15-16-20(22)24-18-13-11-8-6-4-2/h10,12H,3-9,11,13-19H2,1-2H3/b12-10+

InChI Key

AYHNUQIXTVKOJJ-BENRWUELSA-N

Formula

C21H38O4

SMILES

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

Molecular Weight¹

354.53

• 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	[469.64; 1088.38]	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			2.04350e+01
Coefficient B			1.90924e+00
Coefficient C			-1.01320e-03
Coefficient D			1.71900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	469.64	J/mol×K	273.00	Calculated Property
Cp,gas	576.68	J/mol×K	353.78	Calculated Property
Cp,gas	672.88	J/mol×K	434.56	Calculated Property
Cp,gas	758.78	J/mol×K	515.33	Calculated Property
Cp,gas	834.93	J/mol×K	596.11	Calculated Property
Cp,gas	901.86	J/mol×K	676.89	Calculated Property
Cp,gas	960.13	J/mol×K	757.67	Calculated Property
Cp,gas	1010.28	J/mol×K	838.44	Calculated Property
Cp,gas	1052.85	J/mol×K	919.22	Calculated Property
Cp,gas	1088.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012632; 0.0000584]	Pa×s	[406.01; 688.19]	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			-1.41702e+01
Coefficient B			3.04348e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			406.01
Temperature range, max.			688.19
η	0.0012632	Pa×s	406.01	Calculated Property
η	0.0007381	Pa×s	437.36	Calculated Property
η	0.0004634	Pa×s	468.72	Calculated Property
η	0.0003084	Pa×s	500.07	Calculated Property
η	0.0002154	Pa×s	531.42	Calculated Property
η	0.0001565	Pa×s	562.77	Calculated Property
η	0.0001177	Pa×s	594.13	Calculated Property
η	0.0000910	Pa×s	625.48	Calculated Property
η	0.0000722	Pa×s	656.83	Calculated Property
η	0.0000584	Pa×s	688.19	Calculated Property

Similar Compounds

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

Sources

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

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