Chemical Properties of Glutaric acid, dec-2-yl hex-4-yn-3-yl ester

Glutaric acid, dec-2-yl hex-4-yn-3-yl ester

InChI
InChI=1S/C21H36O4/c1-5-8-9-10-11-12-15-18(4)24-20(22)16-13-17-21(23)25-19(7-3)14-6-2/h18-19H,5,7-13,15-17H2,1-4H3
InChI Key
FTXOEKRKKTXCDD-UHFFFAOYSA-N
Formula
C21H36O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OC(C)CCCCCCCC
Molecular Weight1
352.51
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Physical Properties

Property Value Unit Source
ΔfH°gas -843.33 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 51.80 kJ/mol Joback Calculated Property
ΔvapH° 97.99 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.184 Crippen Calculated Property
McVol 313.030 ml/mol McGowan Calculated Property
Inp [2290.00; 2290.00]   Show Hide
Inp 2290.00 NIST
Inp 2290.00 NIST
Tboil 599.86 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [980.96; 1071.30] J/mol×K [840.58; 1035.64] Show Hide
Cp,gas 980.96 J/mol×K 840.58 Joback Calculated Property
Cp,gas 998.81 J/mol×K 873.09 Joback Calculated Property
Cp,gas 1015.52 J/mol×K 905.60 Joback Calculated Property
Cp,gas 1031.10 J/mol×K 938.11 Joback Calculated Property
Cp,gas 1045.58 J/mol×K 970.62 Joback Calculated Property
Cp,gas 1058.97 J/mol×K 1003.13 Joback Calculated Property
Cp,gas 1071.30 J/mol×K 1035.64 Joback Calculated Property

Similar Compounds

Glutaric acid, hept-2-yl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 2-hexyl ester. Glutaric acid, hex-4-yn-3-yl 3-octyl ester. Glutaric acid, hex-4-yn-3-yl 3-hexyl ester. Succinic acid, 2-octyl 3-hex-4-ynyl ester. Succinic acid, hex-4-yn-3-yl 2-hexyl ester. Glutaric acid, dodecyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl tetradecyl ester. Glutaric acid, decyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl octyl ester. Glutaric acid, hex-4-yn-3-yl pentadecyl ester. Glutaric acid, hex-4-yn-3-yl octadecyl 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 hexadecyl ester.

Find more compounds similar to Glutaric acid, dec-2-yl hex-4-yn-3-yl ester.

Sources

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