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

Glutaric acid, 3,4-dimethylcyclohexyl but-3-yn-2-yl ester

InChI
InChI=1S/C17H26O4/c1-5-14(4)20-16(18)7-6-8-17(19)21-15-10-9-12(2)13(3)11-15/h1,12-15H,6-11H2,2-4H3
InChI Key
OMPFQFIOJOKGJR-UHFFFAOYSA-N
Formula
C17H26O4
SMILES
C#CC(C)OC(=O)CCCC(=O)OC1CCC(C)C(C)C1
Molecular Weight1
294.39
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Physical Properties

Property Value Unit Source
Δfus 41.95 kJ/mol Joback Calculated Property
logPoct/wat 3.089 Crippen Calculated Property
McVol 245.810 ml/mol McGowan Calculated Property
Inp [1961.00; 1961.00]   Show Hide
Inp 1961.00 NIST
Inp 1961.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [725.54; 823.94] J/mol×K [704.89; 907.23] Show Hide
Cp,gas 725.54 J/mol×K 704.89 Joback Calculated Property
Cp,gas 745.17 J/mol×K 738.61 Joback Calculated Property
Cp,gas 763.50 J/mol×K 772.34 Joback Calculated Property
Cp,gas 780.52 J/mol×K 806.06 Joback Calculated Property
Cp,gas 796.27 J/mol×K 839.79 Joback Calculated Property
Cp,gas 810.74 J/mol×K 873.51 Joback Calculated Property
Cp,gas 823.94 J/mol×K 907.23 Joback Calculated Property

Similar Compounds

Glutaric acid, but-3-yn-2-yl cis-4-tert-butylcyclohexyl ester. Glutaric acid, but-3-yn-2-yl trans-4-tert-butylcyclohexyl ester. Glutaric acid, di(3,4-dimethylcyclohexyl) ester. Glutaric acid, but-3-yn-2-yl 2-ethylcyclohexyl ester. Glutaric acid, 2-norbornyl but-3-yn-2-yl ester. Glutaric acid, 3,4-dimethylcyclohexyl 3-methylbut-2-yl ester. Glutaric acid, 3,5-dimethylcyclohexyl hept-2-yl ester. Glutaric acid, 3,4-dimethylcyclohexyl ethyl ester. Succinic acid, but-3-yn-2-yl cis-4-methylcyclohexyl ester. Glutaric acid, hept-2-yl trans-4-tert-butylcyclohexyl ester. Glutaric acid, 1-cyclopentylethyl but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl 4-methylpent-2-yl ester. Glutaric acid, 3,5-dimethylcyclohexyl 3-methylbut-2-yl ester. Glutaric acid, di(3,5-dimethylcyclohexyl) ester. Glutaric acid, 3,4-dimethylcyclohexyl 1,1,1-trifluoroprop-2-yl ester.

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

Sources

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