Chemical Properties of Glutaric acid, but-3-yn-2-yl oct-3-en-2-yl ester

Glutaric acid, but-3-yn-2-yl oct-3-en-2-yl ester

InChI
InChI=1S/C17H26O4/c1-5-7-8-9-11-15(4)21-17(19)13-10-12-16(18)20-14(3)6-2/h2,9,11,14-15H,5,7-8,10,12-13H2,1,3-4H3/b11-9+
InChI Key
ZKOPAMBUVNBPHW-PKNBQFBNSA-N
Formula
C17H26O4
SMILES
C#CC(C)OC(=O)CCCC(=O)OC(C)C=CCCCC
Molecular Weight1
294.39
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Physical Properties

Property Value Unit Source
ΔfH°gas -722.02 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.49 kJ/mol Joback Calculated Property
ΔvapH° 86.01 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.400 Crippen Calculated Property
McVol 252.370 ml/mol McGowan Calculated Property
Inp [1868.00; 1868.00]   Show Hide
Inp 1868.00 NIST
Inp 1868.00 NIST
Tfus 280.78 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [716.97; 799.79] J/mol×K [734.34; 925.89] Show Hide
Cp,gas 716.97 J/mol×K 734.34 Joback Calculated Property
Cp,gas 732.90 J/mol×K 766.26 Joback Calculated Property
Cp,gas 747.94 J/mol×K 798.19 Joback Calculated Property
Cp,gas 762.13 J/mol×K 830.11 Joback Calculated Property
Cp,gas 775.48 J/mol×K 862.04 Joback Calculated Property
Cp,gas 788.03 J/mol×K 893.96 Joback Calculated Property
Cp,gas 799.79 J/mol×K 925.89 Joback Calculated Property

Similar Compounds

Glutaric acid, 3-methylbut-2-en-1-yl oct-3-en-2-yl ester. Hexanoic acid, oct-3-en-2-yl ester. Butanoic acid, oct-3-en-2-yl ester. Sebacic acid, di(oct-3-en-2-yl) ester. Octanoic acid, oct-3-en-2-yl ester. Glutaric acid, but-3-yn-2-yl undec-2-enyl ester. Glutaric acid, dodec-2-en-1-yl but-3-yn-2-yl ester. Glutaric acid, 2,2-dichloroethyl oct-3-en-2-yl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl oct-3-en-2-yl ester. Glutaric acid, but-3-en-2-yl dodec-2-en-1-yl ester. Undec-10-ynoic acid, oct-3-en-2-yl ester. 5-Chlorovaleric acid, oct-3-en-2-yl ester. 5-bromovaleric acid, oct-3-en-2-yl ester. 4-Bromobutanoic acid, oct-3-en-2-yl ester. Glutaric acid, hex-2-en-1-yl but-3-yn-2-yl ester.

Find more compounds similar to Glutaric acid, but-3-yn-2-yl oct-3-en-2-yl ester.

Sources

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