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

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

InChI
InChI=1S/C21H34O4/c1-16(2)9-8-14-24-20(22)10-7-11-21(23)25-19(15-18(5)6)13-12-17(3)4/h16,18-19H,3,7-11,14-15H2,1-2,4-6H3
InChI Key
XHXJEMQTYMEMHY-UHFFFAOYSA-N
Formula
C21H34O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=O)OCCCC(C)C
Molecular Weight1
350.49
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Physical Properties

Property Value Unit Source
ΔfusH° 45.68 kJ/mol Joback Calculated Property
logPoct/wat 4.674 Crippen Calculated Property
McVol 308.730 ml/mol McGowan Calculated Property
Inp 2232.00 NIST
Tboil 599.44 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [953.60; 1042.52] J/mol×K [836.70; 1035.53] Show Hide
Cp,gas 953.60 J/mol×K 836.70 Joback Calculated Property
Cp,gas 971.20 J/mol×K 869.84 Joback Calculated Property
Cp,gas 987.66 J/mol×K 902.98 Joback Calculated Property
Cp,gas 1002.99 J/mol×K 936.12 Joback Calculated Property
Cp,gas 1017.24 J/mol×K 969.26 Joback Calculated Property
Cp,gas 1030.40 J/mol×K 1002.39 Joback Calculated Property
Cp,gas 1042.52 J/mol×K 1035.53 Joback Calculated Property

Similar Compounds

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester. Glutaric acid, butyl 2,7-dimethyloct-5-yn-7-en-4-yl 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 heptyl 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 tetradecyl 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 dodecyl 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 hexadecyl 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 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 propyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl heptyl ester.

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

Sources

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