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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [879.39; 969.06] J/mol×K [777.88; 971.28] Show Hide
Cp,gas 879.39 J/mol×K 777.88 Joback Calculated Property
Cp,gas 897.13 J/mol×K 810.11 Joback Calculated Property
Cp,gas 913.72 J/mol×K 842.35 Joback Calculated Property
Cp,gas 929.19 J/mol×K 874.58 Joback Calculated Property
Cp,gas 943.55 J/mol×K 906.81 Joback Calculated Property
Cp,gas 956.84 J/mol×K 939.05 Joback Calculated Property
Cp,gas 969.06 J/mol×K 971.28 Joback 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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