Chemical Properties of Glutaric acid, 3,4-dimethylcyclohexyl tridec-2-yn-1-yl ester

Glutaric acid, 3,4-dimethylcyclohexyl tridec-2-yn-1-yl ester

InChI
InChI=1S/C26H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-20-29-25(27)16-15-17-26(28)30-24-19-18-22(2)23(3)21-24/h22-24H,4-12,15-21H2,1-3H3
InChI Key
BQJQDGOHURVYSI-UHFFFAOYSA-N
Formula
C26H44O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC1CCC(C)C(C)C1
Molecular Weight1
420.63
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Physical Properties

Property Value Unit Source
ΔfusH° 68.93 kJ/mol Joback Calculated Property
ΔvapH° 121.93 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 6.602 Crippen Calculated Property
McVol 372.620 ml/mol McGowan Calculated Property
Inp [3022.00; 3022.00]   Show Hide
Inp 3022.00 NIST
Inp 3022.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 [1277.51; 1366.37] J/mol×K [930.13; 1139.81] Show Hide
Cp,gas 1277.51 J/mol×K 930.13 Joback Calculated Property
Cp,gas 1296.76 J/mol×K 965.08 Joback Calculated Property
Cp,gas 1314.19 J/mol×K 1000.02 Joback Calculated Property
Cp,gas 1329.84 J/mol×K 1034.97 Joback Calculated Property
Cp,gas 1343.73 J/mol×K 1069.92 Joback Calculated Property
Cp,gas 1355.90 J/mol×K 1104.86 Joback Calculated Property
Cp,gas 1366.37 J/mol×K 1139.81 Joback Calculated Property

Similar Compounds

Glutaric acid, tridec-2-yn-1-yl cis-4-tert-butylcyclohexyl ester. Glutaric acid, tridec-2-yn-1-yl trans-4-tert-butylcyclohexyl 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 4-methylpent-2-yl ester. Glutaric acid, 1-cyclopentylethyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester. Glutaric acid, 3,4-dimethylcyclohexyl ethyl ester. Glutaric acid, tridec-2-yn-1-yl 3-octyl ester. Glutaric acid, di(3,4-dimethylcyclohexyl) ester. Glutaric acid, tridec-2-yn-1-yl 2-methylpent-3-yl ester. Glutaric acid, 3,4-dimethylcyclohexyl 2,2-dichloroethyl ester. Glutaric acid, 3,4-dimethylcyclohexyl but-3-yn-2-yl ester. Glutaric acid, tridec-2-yn-1-yl 3,7-dimethyloctyl ester. Glutaric acid, tridec-2-yn-1-yl hept-4-yl ester.

Find more compounds similar to Glutaric acid, 3,4-dimethylcyclohexyl tridec-2-yn-1-yl ester.

Sources

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