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

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

InChI
InChI=1S/C17H28O4/c1-4-7-8-9-14-20-16(18)12-10-13-17(19)21-15(6-3)11-5-2/h15H,4,6-10,12-14H2,1-3H3
InChI Key
SKVUSZAZXGCAQB-UHFFFAOYSA-N
Formula
C17H28O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCC
Molecular Weight1
296.41
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Physical Properties

Property Value Unit Source
ΔfH°gas -737.70 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 48.12 kJ/mol Joback Calculated Property
ΔvapH° 85.76 kJ/mol Relay (1.0) Calculated Property
log10WS -3.88 Relay (1.0) Calculated Property
logPoct/wat 3.625 Crippen Calculated Property
McVol 256.670 ml/mol McGowan Calculated Property
Pc 1400.64 kPa Joback Calculated Property
Inp 2063.00 NIST
Tboil 576.09 K Relay (1.0) Calculated Property
Tc 765.90 K Relay (1.0) Calculated Property
Tfus 277.43 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 [731.38; 818.64] J/mol×K [713.56; 899.55] Show Hide
Cp,gas 731.38 J/mol×K 713.56 Joback Calculated Property
Cp,gas 748.28 J/mol×K 744.56 Joback Calculated Property
Cp,gas 764.23 J/mol×K 775.56 Joback Calculated Property
Cp,gas 779.23 J/mol×K 806.55 Joback Calculated Property
Cp,gas 793.29 J/mol×K 837.55 Joback Calculated Property
Cp,gas 806.43 J/mol×K 868.55 Joback Calculated Property
Cp,gas 818.64 J/mol×K 899.55 Joback Calculated Property

Similar Compounds

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

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

Sources

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