Chemical Properties of Succinic acid, tridec-2-yn-1-yl 2-methylpentyl ester

Succinic acid, tridec-2-yn-1-yl 2-methylpentyl ester

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

Property Value Unit Source
ΔfH°gas -870.49 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 63.66 kJ/mol Joback Calculated Property
ΔvapH° 109.87 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.823 Crippen Calculated Property
McVol 341.210 ml/mol McGowan Calculated Property
Inp [2673.00; 2673.00]   Show Hide
Inp 2673.00 NIST
Inp 2673.00 NIST
Tboil 626.74 K Relay (1.0) Calculated Property
Tc 819.03 K Relay (1.0) Calculated Property
Tfus 263.80 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [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

Succinic acid, tridec-2-yn-1-yl 2-methylbutyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylpentyl ester. Succinic acid, tridec-2-yn-1-yl 2-ethylbutyl ester. Glutaric acid, tridec-2-yn-1-yl 2-ethylhexyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylbutyl ester. Glutaric acid, tridec-2-yn-1-yl 2,4,4-trimethylpentyl ester. Succinic acid, tridec-2-yn-1-yl 3-methylpentyl ester. Succinic acid, cyclohexylmethyl dodec-9-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-ethylbutyl ester. Sebacic acid, isohexyl tridec-2-ynyl ester. Glutaric acid, isohexyl tridec-2-ynyl ester. Glutaric acid, 2-ethylhexyl dodec-9-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl 3,7-dimethyloctyl ester. Succinic acid, tridec-2-yn-1-yl trans-4-methylcyclohexyl ester. Succinic acid, tridec-2-yn-1-yl cis-4-methylcyclohexyl ester.

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 2-methylpentyl ester.

Sources

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