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

Glutaric acid, but-3-en-2-yl hex-4-yn-3-yl ester

InChI
InChI=1S/C15H22O4/c1-5-9-13(7-3)19-15(17)11-8-10-14(16)18-12(4)6-2/h6,12-13H,2,7-8,10-11H2,1,3-4H3
InChI Key
CEBIILHLXWTOOK-UHFFFAOYSA-N
Formula
C15H22O4
SMILES
C=CC(C)OC(=O)CCCC(=O)OC(C#CC)CC
Molecular Weight1
266.34
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Physical Properties

Property Value Unit Source
ΔfusH° 38.14 kJ/mol Joback Calculated Property
logPoct/wat 2.619 Crippen Calculated Property
McVol 224.190 ml/mol McGowan Calculated Property
Inp [1726.00; 1726.00]   Show Hide
Inp 1726.00 NIST
Inp 1726.00 NIST
Tboil 542.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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 [329.03; 720.85] 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 A5.12740e+01
Coefficient B1.16126e+00
Coefficient C-5.40160e-04
Coefficient D4.84800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 329.03 J/mol×K 273.00 Calculated Property
Cp,gas 396.64 J/mol×K 353.78 Calculated Property
Cp,gas 457.88 J/mol×K 434.56 Calculated Property
Cp,gas 512.90 J/mol×K 515.33 Calculated Property
Cp,gas 561.84 J/mol×K 596.11 Calculated Property
Cp,gas 604.86 J/mol×K 676.89 Calculated Property
Cp,gas 642.12 J/mol×K 757.67 Calculated Property
Cp,gas 673.77 J/mol×K 838.44 Calculated Property
Cp,gas 699.97 J/mol×K 919.22 Calculated Property
Cp,gas 720.85 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, hexa-1,5-dien-3-yl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl isopropyl ester. Glutaric acid, oct-1-en-3-yl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl but-3-en-1-yl ester. Glutaric acid, but-3-yn-2-yl hex-4-yn-3-yl ester. Glutaric acid, 3-methylbut-2-en-1-yl hex-4-yn-3-yl ester. Glutaric acid, but-3-en-2-yl tridec-2-yn-1-yl ester. Glutaric acid, di(hex-4-yn-3-yl) ester. Glutaric acid, hexa-1,5-dien-3-yl but-3-yn-2-yl ester. Glutaric acid, hex-4-yn-3-yl 3-methylbut-2-yl ester. Glutaric acid, ethyl hex-4-yn-3-yl ester. Glutaric acid, but-3-en-2-yl 3-methylbut-2-yl ester. Glutaric acid, hex-4-yn-3-yl propyl ester. Glutaric acid, hex-4-yn-3-yl 1,1,1-trifluoroprop-2-yl ester. Glutaric acid, hex-4-yn-3-yl 2-hexyl ester.

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

Sources

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