Chemical Properties of Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester

Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester

InChI
InChI=1S/C20H32O4/c1-7-9-17(6)18(13-12-15(2)3)24-20(22)11-8-10-19(21)23-14-16(4)5/h16-18H,2,7-11,14H2,1,3-6H3
InChI Key
JYJVOFSLLWWLHJ-UHFFFAOYSA-N
Formula
C20H32O4
SMILES
C=C(C)C#CC(OC(=O)CCCC(=O)OCC(C)C)C(C)CCC
Molecular Weight1
336.47
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Physical Properties

Property Value Unit Source
ΔfH°gas -701.79 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.26 kJ/mol Joback Calculated Property
ΔvapH° 89.53 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.283 Crippen Calculated Property
McVol 294.640 ml/mol McGowan Calculated Property
Pc 1191.52 kPa Joback Calculated Property
Inp 2121.00 NIST
Tboil 592.13 K Relay (1.0) Calculated Property
Tc 770.62 K Relay (1.0) Calculated Property
Tfus 270.75 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [434.93; 979.08] 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 A4.53560e+01
Coefficient B1.64210e+00
Coefficient C-8.17660e-04
Coefficient D1.09280e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 434.93 J/mol×K 273.00 Calculated Property
Cp,gas 528.80 J/mol×K 353.78 Calculated Property
Cp,gas 613.50 J/mol×K 434.56 Calculated Property
Cp,gas 689.40 J/mol×K 515.33 Calculated Property
Cp,gas 756.82 J/mol×K 596.11 Calculated Property
Cp,gas 816.13 J/mol×K 676.89 Calculated Property
Cp,gas 867.67 J/mol×K 757.67 Calculated Property
Cp,gas 911.77 J/mol×K 838.44 Calculated Property
Cp,gas 948.79 J/mol×K 919.22 Calculated Property
Cp,gas 979.08 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. Glutaric acid, cyclohexylmethyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isohexyl ester. Glutaric acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl hexyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl heptyl ester. Glutaric acid, 2-ethylhexyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl nonyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl octyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl undecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl tetradecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl tridecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl dodecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentadecyl ester.

Find more compounds similar to Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester.

Sources

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