Chemical Properties of Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl isobutyl ester

Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl isobutyl ester

InChI
InChI=1S/C24H40O4/c1-19(2)15-16-22(17-20(3)4)28-24(26)14-12-10-8-7-9-11-13-23(25)27-18-21(5)6/h20-22H,1,7-14,17-18H2,2-6H3
InChI Key
DRVBDKSCKHKMLN-UHFFFAOYSA-N
Formula
C24H40O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCCCCC(=O)OCC(C)C
Molecular Weight1
392.57
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Physical Properties

Property Value Unit Source
ΔfH°gas -804.36 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 56.62 kJ/mol Joback Calculated Property
ΔvapH° 103.20 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.844 Crippen Calculated Property
McVol 351.000 ml/mol McGowan Calculated Property
Inp 2507.00 NIST
Tboil 620.35 K Relay (1.0) Calculated Property
Tc 806.37 K Relay (1.0) Calculated Property
Tfus 285.40 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [519.79; 1185.44] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.17200e+01
Coefficient B2.02210e+00
Coefficient C-1.03526e-03
Coefficient D1.56880e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 519.79 J/mol×K 273.00 Calculated Property
Cp,gas 634.47 J/mol×K 353.78 Calculated Property
Cp,gas 737.81 J/mol×K 434.56 Calculated Property
Cp,gas 830.31 J/mol×K 515.33 Calculated Property
Cp,gas 912.47 J/mol×K 596.11 Calculated Property
Cp,gas 984.78 J/mol×K 676.89 Calculated Property
Cp,gas 1047.73 J/mol×K 757.67 Calculated Property
Cp,gas 1101.83 J/mol×K 838.44 Calculated Property
Cp,gas 1147.57 J/mol×K 919.22 Calculated Property
Cp,gas 1185.44 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sebacic acid, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl heptyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl hexyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl pentyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isobutyl ester. Glutaric acid, decyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl heptadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tetradecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl dodecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl nonyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tridecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl octyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl heptyl ester.

Find more compounds similar to Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl isobutyl ester.

Sources

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