Chemical Properties of Succinic acid, but-3-yn-2-yl cis-4-methylcyclohexyl ester

Succinic acid, but-3-yn-2-yl cis-4-methylcyclohexyl ester

InChI
InChI=1S/C15H22O4/c1-4-12(3)18-14(16)9-10-15(17)19-13-7-5-11(2)6-8-13/h1,11-13H,5-10H2,2-3H3
InChI Key
GVMREGMLJWCQHZ-UHFFFAOYSA-N
Formula
C15H22O4
SMILES
C#CC(C)OC(=O)CCC(=O)OC1CCC(C)CC1
Molecular Weight1
266.34
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Physical Properties

Property Value Unit Source
ΔfusH° 35.70 kJ/mol Joback Calculated Property
ΔvapH° 83.71 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.453 Crippen Calculated Property
McVol 217.630 ml/mol McGowan Calculated Property
Inp [1798.00; 1798.00]   Show Hide
Inp 1798.00 NIST
Inp 1798.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [309.01; 744.00] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-7.49800e+00
Coefficient B1.32684e+00
Coefficient C-6.27730e-04
Coefficient D5.23900e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 309.01 J/mol×K 273.00 Calculated Property
Cp,gas 385.66 J/mol×K 353.78 Calculated Property
Cp,gas 454.85 J/mol×K 434.56 Calculated Property
Cp,gas 516.73 J/mol×K 515.33 Calculated Property
Cp,gas 571.48 J/mol×K 596.11 Calculated Property
Cp,gas 619.26 J/mol×K 676.89 Calculated Property
Cp,gas 660.24 J/mol×K 757.67 Calculated Property
Cp,gas 694.58 J/mol×K 838.44 Calculated Property
Cp,gas 722.44 J/mol×K 919.22 Calculated Property
Cp,gas 744.00 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, di(trans-4-methylcyclohexyl) ester. Succinic acid, cis-4-methylcyclohexyl trans-4-methylcyclohexyl ester. Glutaric acid, 3,4-dimethylcyclohexyl but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl trans-4-tert-butylcyclohexyl ester. Glutaric acid, but-3-yn-2-yl cis-4-tert-butylcyclohexyl ester. Succinic acid, but-3-yn-2-yl 4-octyl ester. Succinic acid, but-3-yn-2-yl 1-cyclopentylethyl ester. Succinic acid, but-3-yn-2-yl 3-heptyl ester. Succinic acid, 3-methylbut-2-yl cis-4-methylcyclohexyl ester. Succinic acid, hept-2-yl trans-4-tert-butylcyclohexyl ester. Succinic acid, hept-2-yl cis-4-tert-butylcyclohexyl ester. Succinic acid, di(6-methylhept-2-yl) ester. Succinic acid, di(5-methylhex-2-yl) ester. Succinic acid, but-3-yn-2-yl 2-heptyl ester. Succinic acid, but-3-yn-2-yl 2-decyl ester.

Find more compounds similar to Succinic acid, but-3-yn-2-yl cis-4-methylcyclohexyl ester.

Sources

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