Chemical Properties of Glutaric acid, isobutyl non-5-yn-3-yl ester

Glutaric acid, isobutyl non-5-yn-3-yl ester

InChI
InChI=1S/C18H30O4/c1-5-7-8-9-11-16(6-2)22-18(20)13-10-12-17(19)21-14-15(3)4/h15-16H,5-7,10-14H2,1-4H3
InChI Key
IUZKNPXJMWWXAY-UHFFFAOYSA-N
Formula
C18H30O4
SMILES
CCCC#CCC(CC)OC(=O)CCCC(=O)OCC(C)C
Molecular Weight1
310.43
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Physical Properties

Property Value Unit Source
ΔfH°gas -783.27 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 47.19 kJ/mol Joback Calculated Property
ΔvapH° 87.87 kJ/mol Relay (1.0) Calculated Property
log10WS -3.68 Relay (1.0) Calculated Property
logPoct/wat 3.871 Crippen Calculated Property
McVol 270.760 ml/mol McGowan Calculated Property
Pc 1312.75 kPa Joback Calculated Property
Inp 2074.00 NIST
Tboil 583.57 K Relay (1.0) Calculated Property
Tc 764.22 K Relay (1.0) Calculated Property
Tfus 253.16 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [788.74; 878.04] J/mol×K [736.00; 923.84] Show Hide
Cp,gas 788.74 J/mol×K 736.00 Joback Calculated Property
Cp,gas 806.17 J/mol×K 767.31 Joback Calculated Property
Cp,gas 822.56 J/mol×K 798.61 Joback Calculated Property
Cp,gas 837.93 J/mol×K 829.92 Joback Calculated Property
Cp,gas 852.29 J/mol×K 861.23 Joback Calculated Property
Cp,gas 865.66 J/mol×K 892.54 Joback Calculated Property
Cp,gas 878.04 J/mol×K 923.84 Joback Calculated Property

Similar Compounds

Sebacic acid, isobutyl non-5-yn-3-yl ester. Glutaric acid, non-5-yn-3-yl propyl ester. Glutaric acid, butyl non-5-yn-3-yl ester. Glutaric acid, ethyl non-5-yn-3-yl ester. Glutaric acid, 3-methylbut-2-yl non-5-yn-3-yl ester. Glutaric acid, non-5-yn-3-yl pentyl ester. Glutaric acid, 2-methylpent-3-yl non-5-yn-3-yl ester. Glutaric acid, hexyl non-5-yn-3-yl ester. Sebacic acid, non-5-yn-3-yl propyl ester. Glutaric acid, di(non-5-yn-3-yl) ester. Glutaric acid, heptyl non-5-yn-3-yl ester. Glutaric acid, heptadecyl non-5-yn-3-yl ester. Glutaric acid, dodecyl non-5-yn-3-yl ester. Glutaric acid, non-5-yn-3-yl tetradecyl ester. Glutaric acid, octyl non-5-yn-3-yl ester.

Find more compounds similar to Glutaric acid, isobutyl non-5-yn-3-yl ester.

Sources

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