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

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

InChI
InChI=1S/C23H40O4/c1-4-7-8-9-10-11-12-13-14-15-20-26-22(24)18-16-19-23(25)27-21(6-3)17-5-2/h21H,4,6-16,18-20H2,1-3H3
InChI Key
KJBVGKBZTDOEAC-UHFFFAOYSA-N
Formula
C23H40O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCCCCCCCC
Molecular Weight1
380.56
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Physical Properties

Property Value Unit Source
ΔfH°gas -861.39 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 63.66 kJ/mol Joback Calculated Property
ΔvapH° 108.07 kJ/mol Relay (1.0) Calculated Property
log10WS -5.95 Relay (1.0) Calculated Property
logPoct/wat 5.966 Crippen Calculated Property
McVol 341.210 ml/mol McGowan Calculated Property
Pc 947.91 kPa Joback Calculated Property
Inp 2658.00 NIST
Tboil 626.39 K Relay (1.0) Calculated Property
Tc 819.30 K Relay (1.0) Calculated Property
Tfus 303.00 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 [1086.25; 1178.72] J/mol×K [850.84; 1043.72] Show Hide
Cp,gas 1086.25 J/mol×K 850.84 Joback Calculated Property
Cp,gas 1104.75 J/mol×K 882.99 Joback Calculated Property
Cp,gas 1121.98 J/mol×K 915.13 Joback Calculated Property
Cp,gas 1137.96 J/mol×K 947.28 Joback Calculated Property
Cp,gas 1152.73 J/mol×K 979.43 Joback Calculated Property
Cp,gas 1166.31 J/mol×K 1011.57 Joback Calculated Property
Cp,gas 1178.72 J/mol×K 1043.72 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 hexadecyl 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, 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, dodecyl hex-4-yn-3-yl ester.

Sources

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