Chemical Properties of Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isobutyl ester

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isobutyl ester

InChI
InChI=1S/C19H30O4/c1-14(2)10-11-17(12-15(3)4)23-19(21)9-7-8-18(20)22-13-16(5)6/h15-17H,1,7-9,12-13H2,2-6H3
InChI Key
QSNUCIJDHPHWLB-UHFFFAOYSA-N
Formula
C19H30O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=O)OCC(C)C
Molecular Weight1
322.44
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Physical Properties

Property Value Unit Source
ΔfH°gas -699.19 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 43.67 kJ/mol Joback Calculated Property
ΔvapH° 86.23 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.893 Crippen Calculated Property
McVol 280.550 ml/mol McGowan Calculated Property
Pc 1274.60 kPa Joback Calculated Property
Inp 2042.00 NIST
Tboil 578.59 K Relay (1.0) Calculated Property
Tc 762.08 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [413.72; 927.48] 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 A4.62650e+01
Coefficient B1.54710e+00
Coefficient C-7.63260e-04
Coefficient D9.73800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 413.72 J/mol×K 273.00 Calculated Property
Cp,gas 502.38 J/mol×K 353.78 Calculated Property
Cp,gas 582.42 J/mol×K 434.56 Calculated Property
Cp,gas 654.17 J/mol×K 515.33 Calculated Property
Cp,gas 717.91 J/mol×K 596.11 Calculated Property
Cp,gas 773.97 J/mol×K 676.89 Calculated Property
Cp,gas 822.65 J/mol×K 757.67 Calculated Property
Cp,gas 864.26 J/mol×K 838.44 Calculated Property
Cp,gas 899.10 J/mol×K 919.22 Calculated Property
Cp,gas 927.49 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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