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

Glutaric acid, hex-4-yn-3-yl hexadecyl ester

InChI
InChI=1S/C27H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-26(28)22-20-23-27(29)31-25(6-3)21-5-2/h25H,4,6-20,22-24H2,1-3H3
InChI Key
LCIWRDHFJUWLMB-UHFFFAOYSA-N
Formula
C27H48O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCCCCCCCCCCCC
Molecular Weight1
436.68
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Physical Properties

Property Value Unit Source
ΔfH°gas -944.88 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 70.86 kJ/mol Joback Calculated Property
ΔvapH° 123.73 kJ/mol Relay (1.0) Calculated Property
log10WS -7.20 Relay (1.0) Calculated Property
logPoct/wat 7.526 Crippen Calculated Property
McVol 397.570 ml/mol McGowan Calculated Property
Pc 793.49 kPa Joback Calculated Property
Tboil 653.59 K Relay (1.0) Calculated Property
Tc 848.62 K Relay (1.0) Calculated Property
Tfus 317.55 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 [1354.91; 1450.23] J/mol×K [978.30; 1201.23] Show Hide
Cp,gas 1354.91 J/mol×K 978.30 Joback Calculated Property
Cp,gas 1374.81 J/mol×K 1015.46 Joback Calculated Property
Cp,gas 1393.05 J/mol×K 1052.61 Joback Calculated Property
Cp,gas 1409.66 J/mol×K 1089.77 Joback Calculated Property
Cp,gas 1424.69 J/mol×K 1126.92 Joback Calculated Property
Cp,gas 1438.20 J/mol×K 1164.08 Joback Calculated Property
Cp,gas 1450.23 J/mol×K 1201.23 Joback Calculated Property

Similar Compounds

Glutaric acid, heptadecyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl octyl ester. Glutaric acid, hex-4-yn-3-yl octadecyl ester. Glutaric acid, hex-4-yn-3-yl undecyl ester. Glutaric acid, decyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl tridecyl ester. Glutaric acid, hex-4-yn-3-yl tetradecyl ester. Glutaric acid, hex-4-yn-3-yl pentadecyl ester. Glutaric acid, hex-4-yn-3-yl nonyl ester. Glutaric acid, dodecyl hex-4-yn-3-yl ester. Glutaric acid, heptyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl hexyl ester. Sebacic acid, hexyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl tetradecyl ester. Sebacic acid, hex-4-yn-3-yl pentadecyl ester.

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

Sources

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