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

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

InChI
InChI=1S/C14H22O4/c1-4-8-12(6-3)18-14(16)10-7-9-13(15)17-11-5-2/h12H,5-7,9-11H2,1-3H3
InChI Key
FNGIVOGZPOXAIM-UHFFFAOYSA-N
Formula
C14H22O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OCCC
Molecular Weight1
254.32
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Physical Properties

Property Value Unit Source
ΔfH°gas -675.17 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.35 kJ/mol Joback Calculated Property
ΔvapH° 76.95 kJ/mol Relay (1.0) Calculated Property
log10WS -2.70 Relay (1.0) Calculated Property
logPoct/wat 2.455 Crippen Calculated Property
McVol 214.400 ml/mol McGowan Calculated Property
Pc 1759.49 kPa Joback Calculated Property
Inp 1770.00 NIST
Tboil 545.71 K Relay (1.0) Calculated Property
Tc 730.17 K Relay (1.0) Calculated Property
Tfus 273.41 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 [567.70; 649.83] J/mol×K [644.92; 834.72] Show Hide
Cp,gas 567.70 J/mol×K 644.92 Joback Calculated Property
Cp,gas 583.47 J/mol×K 676.55 Joback Calculated Property
Cp,gas 598.41 J/mol×K 708.19 Joback Calculated Property
Cp,gas 612.51 J/mol×K 739.82 Joback Calculated Property
Cp,gas 625.78 J/mol×K 771.45 Joback Calculated Property
Cp,gas 638.21 J/mol×K 803.08 Joback Calculated Property
Cp,gas 649.83 J/mol×K 834.72 Joback Calculated Property

Similar Compounds

Glutaric acid, ethyl hex-4-yn-3-yl ester. Glutaric acid, butyl hex-4-yn-3-yl ester. Glutaric acid, di(hex-4-yn-3-yl) ester. Glutaric acid, hex-4-yn-3-yl isobutyl ester. Glutaric acid, hex-4-yn-3-yl isopropyl ester. Glutaric acid, hex-4-yn-3-yl 2-fluoroethyl ester. Glutaric acid, hex-4-yn-3-yl pentyl ester. Glutaric acid, hex-4-yn-3-yl neopentyl ester. Glutaric acid, but-3-yn-2-yl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl propyl ester. Glutaric acid, hex-4-yn-3-yl hexyl ester. valeric acid, hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl but-3-en-1-yl ester. Glutaric acid, heptyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl undecyl ester.

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

Sources

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