Chemical Properties of Glutaric acid, hex-4-yn-3-yl 2-methylpent-3-yl ester

Glutaric acid, hex-4-yn-3-yl 2-methylpent-3-yl ester

InChI
InChI=1S/C17H28O4/c1-6-10-14(7-2)20-16(18)11-9-12-17(19)21-15(8-3)13(4)5/h13-15H,7-9,11-12H2,1-5H3
InChI Key
OCECDTNXXDQLCB-UHFFFAOYSA-N
Formula
C17H28O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OC(CC)C(C)C
Molecular Weight1
296.41
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Physical Properties

Property Value Unit Source
ΔfH°gas -761.05 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.08 kJ/mol Joback Calculated Property
ΔvapH° 83.18 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.480 Crippen Calculated Property
McVol 256.670 ml/mol McGowan Calculated Property
Inp [1886.00; 1886.00]   Show Hide
Inp 1886.00 NIST
Inp 1886.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [380.95; 853.09] 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 A5.07650e+01
Coefficient B1.37720e+00
Coefficient C-6.29260e-04
Coefficient D5.43800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 380.95 J/mol×K 273.00 Calculated Property
Cp,gas 461.64 J/mol×K 353.78 Calculated Property
Cp,gas 534.87 J/mol×K 434.56 Calculated Property
Cp,gas 600.81 J/mol×K 515.33 Calculated Property
Cp,gas 659.64 J/mol×K 596.11 Calculated Property
Cp,gas 711.53 J/mol×K 676.89 Calculated Property
Cp,gas 756.64 J/mol×K 757.67 Calculated Property
Cp,gas 795.16 J/mol×K 838.44 Calculated Property
Cp,gas 827.25 J/mol×K 919.22 Calculated Property
Cp,gas 853.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, hex-4-yn-3-yl 3-methylbut-2-yl ester. Glutaric acid, 2-methylpent-3-yl 2-methyloct-5-yn-4-yl ester. Glutaric acid, but-3-yn-2-yl 2-methylpent-3-yl ester. Glutaric acid, hex-4-yn-3-yl 4-methylpent-2-yl ester. Glutaric acid, 3-methylbut-2-yl 2-methyloct-5-yn-4-yl ester. Glutaric acid, but-3-yn-2-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, 2-methylpent-3-yl non-5-yn-3-yl ester. Glutaric acid, 1-cyclopentylethyl hex-4-yn-3-yl ester. Glutaric acid, 2-norbornyl hex-4-yn-3-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylpent-3-yl ester. Glutaric acid, hex-4-yn-3-yl 3-hexyl ester. Succinic acid, 2-methylpent-3-yl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methylpent-3-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, tridec-2-yn-1-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, but-3-yn-2-yl 2-methylhex-3-yl ester.

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

Sources

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