Chemical Properties of Glutaric acid, hex-4-yn-3-yl 4-methylpent-2-yl ester

Glutaric acid, hex-4-yn-3-yl 4-methylpent-2-yl ester

InChI
InChI=1S/C17H28O4/c1-6-9-15(7-2)21-17(19)11-8-10-16(18)20-14(5)12-13(3)4/h13-15H,7-8,10-12H2,1-5H3
InChI Key
ZAOOWGXPFRSOMW-UHFFFAOYSA-N
Formula
C17H28O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OC(C)CC(C)C
Molecular Weight1
296.40
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Physical Properties

Property Value Unit Source
ΔfH°gas -770.90 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.91 kJ/mol Joback Calculated Property
ΔvapH° 81.70 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.480 Crippen Calculated Property
McVol 256.670 ml/mol McGowan Calculated Property
Inp [1862.00; 1862.00]   Show Hide
Inp 1862.00 NIST
Inp 1862.00 NIST
Tboil 557.26 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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 [746.01; 833.29] J/mol×K [748.62; 944.19] Show Hide
Cp,gas 746.01 J/mol×K 748.62 Joback Calculated Property
Cp,gas 762.99 J/mol×K 781.21 Joback Calculated Property
Cp,gas 778.98 J/mol×K 813.81 Joback Calculated Property
Cp,gas 794.00 J/mol×K 846.40 Joback Calculated Property
Cp,gas 808.06 J/mol×K 879.00 Joback Calculated Property
Cp,gas 821.15 J/mol×K 911.59 Joback Calculated Property
Cp,gas 833.29 J/mol×K 944.19 Joback Calculated Property

Similar Compounds

Glutaric acid, 3-methylbut-2-yl 2-methyloct-5-yn-4-yl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester. Glutaric acid, 2-methylpent-3-yl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl propyl ester. Glutaric acid, hex-4-yn-3-yl 2-hexyl ester. Glutaric acid, hex-4-yn-3-yl 2-methylpent-3-yl ester. Glutaric acid, butyl 2-methyloct-5-yn-4-yl ester. valeric acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, but-3-yn-2-yl 4-methylpent-2-yl ester. Glutaric acid, isohexyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, hept-2-yl hex-4-yn-3-yl ester. Glutaric acid, isobutyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentyl ester. Glutaric acid, dec-2-yl hex-4-yn-3-yl ester. Glutaric acid, 1-cyclopentylethyl hex-4-yn-3-yl ester.

Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 4-methylpent-2-yl ester.

Sources

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