Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester

Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester

InChI
InChI=1S/C25H44O4/c1-5-7-8-9-10-11-12-13-14-15-16-21-28-24(26)19-17-20-25(27)29-23(18-6-2)22(3)4/h22-23H,5-14,17-21H2,1-4H3
InChI Key
MINHKHDCLHKHON-UHFFFAOYSA-N
Formula
C25H44O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(CCC)C(C)C
Molecular Weight1
408.61
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Physical Properties

Property Value Unit Source
ΔfH°gas -912.19 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 65.32 kJ/mol Joback Calculated Property
ΔvapH° 113.48 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 6.602 Crippen Calculated Property
McVol 369.390 ml/mol McGowan Calculated Property
Inp 2720.00 NIST
Tboil 640.41 K Relay (1.0) Calculated Property
Tc 831.88 K Relay (1.0) Calculated Property
Tfus 269.91 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 [1210.86; 1304.28] J/mol×K [896.16; 1097.28] Show Hide
Cp,gas 1210.86 J/mol×K 896.16 Joback Calculated Property
Cp,gas 1229.92 J/mol×K 929.68 Joback Calculated Property
Cp,gas 1247.55 J/mol×K 963.20 Joback Calculated Property
Cp,gas 1263.76 J/mol×K 996.72 Joback Calculated Property
Cp,gas 1278.60 J/mol×K 1030.24 Joback Calculated Property
Cp,gas 1292.09 J/mol×K 1063.76 Joback Calculated Property
Cp,gas 1304.28 J/mol×K 1097.28 Joback Calculated Property

Similar Compounds

Glutaric acid, tridec-2-yn-1-yl 2-methylpent-3-yl ester. Glutaric acid, tridec-2-yn-1-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, 1-cyclopentylethyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl trans-4-tert-butylcyclohexyl ester. Glutaric acid, tridec-2-yn-1-yl cis-4-tert-butylcyclohexyl ester. Glutaric acid, tridec-2-yn-1-yl 3-methylbut-2-yl ester. Glutaric acid, 3,4-dimethylcyclohexyl tridec-2-yn-1-yl ester. Glutaric acid, 2-methylpent-3-yl dodec-9-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl hept-4-yl ester. Glutaric acid, tridec-2-yn-1-yl 4-methylpent-2-yl ester. Succinic acid, tridec-2-yn-1-yl cis-4-methylcyclohexyl ester. Succinic acid, tridec-2-yn-1-yl trans-4-methylcyclohexyl ester. Glutaric acid, tridec-2-yn-1-yl 3-octyl ester. Glutaric acid, cyclopentyl tridec-2-yn-1-yl ester. Glutaric acid, 2-methylpent-3-yl non-5-yn-3-yl ester.

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester.

Sources

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