Chemical Properties of Glutaric acid, isohexyl 2-methyloct-5-yn-4-yl ester

Glutaric acid, isohexyl 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C20H34O4/c1-6-7-11-18(15-17(4)5)24-20(22)13-8-12-19(21)23-14-9-10-16(2)3/h16-18H,6,8-10,12-15H2,1-5H3
InChI Key
TVOQNVJJRLZJCU-UHFFFAOYSA-N
Formula
C20H34O4
SMILES
CCC#CC(CC(C)C)OC(=O)CCCC(=O)OCCCC(C)C
Molecular Weight1
338.48
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Physical Properties

Property Value Unit Source
ΔfH°gas -819.67 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 48.85 kJ/mol Joback Calculated Property
ΔvapH° 90.31 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.507 Crippen Calculated Property
McVol 298.940 ml/mol McGowan Calculated Property
Inp 3410.00 NIST
Tboil 591.76 K Relay (1.0) Calculated Property
Tc 779.52 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [905.95; 997.46] J/mol×K [781.32; 971.31] Show Hide
Cp,gas 905.95 J/mol×K 781.32 Joback Calculated Property
Cp,gas 924.01 J/mol×K 812.99 Joback Calculated Property
Cp,gas 940.93 J/mol×K 844.65 Joback Calculated Property
Cp,gas 956.72 J/mol×K 876.32 Joback Calculated Property
Cp,gas 971.39 J/mol×K 907.98 Joback Calculated Property
Cp,gas 984.96 J/mol×K 939.65 Joback Calculated Property
Cp,gas 997.46 J/mol×K 971.31 Joback Calculated Property

Similar Compounds

Glutaric acid, 2-methyloct-5-yn-4-yl pentyl ester. Glutaric acid, butyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, hexyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, heptyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl undecyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl nonyl ester. Glutaric acid, dodecyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl tridecyl ester. Glutaric acid, heptadecyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl tetradecyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentadecyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl octyl ester. Glutaric acid, decyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, hexadecyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl propyl ester.

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

Sources

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