Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 2,4,4-trimethylpentyl ester

Glutaric acid, tridec-2-yn-1-yl 2,4,4-trimethylpentyl ester

InChI
InChI=1S/C26H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-29-24(27)18-17-19-25(28)30-22-23(2)21-26(3,4)5/h23H,6-14,17-22H2,1-5H3
InChI Key
JHYLAFDVGIIDIY-UHFFFAOYSA-N
Formula
C26H46O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCC(C)CC(C)(C)C
Molecular Weight1
422.64
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Physical Properties

Property Value Unit Source
ΔfH°gas -962.08 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 64.02 kJ/mol Joback Calculated Property
ΔvapH° 111.76 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 6.850 Crippen Calculated Property
McVol 383.480 ml/mol McGowan Calculated Property
Inp [2835.00; 2835.00]   Show Hide
Inp 2835.00 NIST
Inp 2835.00 NIST
Tboil 652.83 K Relay (1.0) Calculated Property
Tc 838.79 K Relay (1.0) Calculated Property
Tfus 283.08 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 [1273.31; 1368.16] J/mol×K [916.25; 1121.78] Show Hide
Cp,gas 1273.31 J/mol×K 916.25 Joback Calculated Property
Cp,gas 1292.55 J/mol×K 950.51 Joback Calculated Property
Cp,gas 1310.33 J/mol×K 984.76 Joback Calculated Property
Cp,gas 1326.73 J/mol×K 1019.02 Joback Calculated Property
Cp,gas 1341.80 J/mol×K 1053.27 Joback Calculated Property
Cp,gas 1355.59 J/mol×K 1087.53 Joback Calculated Property
Cp,gas 1368.16 J/mol×K 1121.78 Joback Calculated Property

Similar Compounds

Glutaric acid, tridec-2-yn-1-yl 2-methylpentyl 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-ethylbutyl ester. Glutaric acid, isohexyl tridec-2-ynyl ester. Succinic acid, tridec-2-yn-1-yl 2-methylpentyl ester. Sebacic acid, isohexyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl 3,7-dimethyloctyl ester. Glutaric acid, hex-4-yn-3-yl 2,4,4-trimethylpentyl ester. Glutaric acid, 2-(cyclohexyl)ethyl tridec-2-yn-1-yl ester. Glutaric acid, 2-ethylhexyl dodec-9-yn-1-yl ester. Glutaric acid, isobutyl tridec-2-ynyl ester. Glutaric acid, tetradecyl 2,4,4-trimethylpentyl ester. Glutaric acid, 2,4,4-trimethylpentyl undecyl ester. Glutaric acid, pentadecyl 2,4,4-trimethylpentyl ester.

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2,4,4-trimethylpentyl ester.

Sources

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