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

Glutaric acid, 1-cyclopentylethyl tridec-2-yn-1-yl ester

InChI
InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-28-24(26)19-16-20-25(27)29-22(2)23-17-13-14-18-23/h22-23H,3-11,13-14,16-21H2,1-2H3
InChI Key
ASQRASOMOGHTKF-UHFFFAOYSA-N
Formula
C25H42O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(C)C1CCCC1
Molecular Weight1
406.61
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Physical Properties

Property Value Unit Source
ΔfH°gas -894.66 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 59.61 kJ/mol Joback Calculated Property
ΔvapH° 118.35 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 6.356 Crippen Calculated Property
McVol 358.530 ml/mol McGowan Calculated Property
Inp [2883.00; 2883.00]   Show Hide
Inp 2883.00 NIST
Inp 2883.00 NIST
Tc 870.79 K Relay (1.0) Calculated Property
Tfus 288.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point 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 [1220.00; 1310.38] J/mol×K [947.82; 1161.39] Show Hide
Cp,gas 1220.00 J/mol×K 947.82 Joback Calculated Property
Cp,gas 1238.67 J/mol×K 983.41 Joback Calculated Property
Cp,gas 1255.83 J/mol×K 1019.01 Joback Calculated Property
Cp,gas 1271.54 J/mol×K 1054.60 Joback Calculated Property
Cp,gas 1285.83 J/mol×K 1090.20 Joback Calculated Property
Cp,gas 1298.76 J/mol×K 1125.79 Joback Calculated Property
Cp,gas 1310.38 J/mol×K 1161.39 Joback Calculated Property

Similar Compounds

Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester. Glutaric acid, 1-cyclopentylethyl hex-4-yn-3-yl ester. Glutaric acid, 3,4-dimethylcyclohexyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl cis-4-tert-butylcyclohexyl ester. Glutaric acid, tridec-2-yn-1-yl trans-4-tert-butylcyclohexyl ester. Glutaric acid, 1-cyclopentylethyl cyclohexylmethyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylpent-3-yl ester. Glutaric acid, tridec-2-yn-1-yl 4-methylpent-2-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-ethylhexyl ester. Glutaric acid, tridec-2-yn-1-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, 1-cyclopentylethyl dec-2-yl ester. Glutaric acid, 1-cyclopentylethyl hept-2-yl ester. Glutaric acid, di(1-cyclopentylethyl) ester. Glutaric acid, tridec-2-yn-1-yl 3-methylbut-2-yl ester. Glutaric acid, 1-cyclopentylethyl but-3-yn-2-yl ester.

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

Sources

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