Chemical Properties of Succinic acid, but-3-yn-2-yl but-3-en-1-yl ester

Succinic acid, but-3-yn-2-yl but-3-en-1-yl ester

InChI
InChI=1S/C12H16O4/c1-4-6-9-15-11(13)7-8-12(14)16-10(3)5-2/h2,4,10H,1,6-9H2,3H3
InChI Key
NOXILKCBEFCQDE-UHFFFAOYSA-N
Formula
C12H16O4
SMILES
C#CC(C)OC(=O)CCC(=O)OCCC=C
Molecular Weight1
224.26
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Physical Properties

Property Value Unit Source
ΔfH°gas -546.63 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.75 kJ/mol Joback Calculated Property
ΔvapH° 72.35 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 1.451 Crippen Calculated Property
McVol 181.920 ml/mol McGowan Calculated Property
Inp 1468.00 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 [271.41; 568.98] 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 A5.19040e+01
Coefficient B9.26220e-01
Coefficient C-4.61830e-04
Coefficient D5.26900e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 271.41 J/mol×K 273.00 Calculated Property
Cp,gas 324.11 J/mol×K 353.78 Calculated Property
Cp,gas 371.51 J/mol×K 434.56 Calculated Property
Cp,gas 413.78 J/mol×K 515.33 Calculated Property
Cp,gas 451.08 J/mol×K 596.11 Calculated Property
Cp,gas 483.59 J/mol×K 676.89 Calculated Property
Cp,gas 511.47 J/mol×K 757.67 Calculated Property
Cp,gas 534.88 J/mol×K 838.44 Calculated Property
Cp,gas 554.00 J/mol×K 919.22 Calculated Property
Cp,gas 568.98 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, but-3-yn-2-yl trans-hex-3-en-1-yl ester. Succinic acid, but-3-yn-2-yl 3-methylbut-3-en-1-yl ester. Succinic acid, hex-4-yn-3-yl but-3-en-1-yl ester. Succinic acid, but-3-yn-2-yl pent-4-en-2-yl ester. Succinic acid, di(but-3-en-1-yl) ester. Succinic acid, but-3-yn-2-yl hex-5-en-1-yl ester. Succinic acid, but-3-yn-2-yl hept-1,6-dien-4-yl ester. Succinic acid, but-3-yn-2-yl cis-pent-2-en-1-yl ester. Glutaric acid, hex-4-yn-3-yl but-3-en-1-yl ester. Succinic acid, 3-methylbut-2-yl but-3-en-1-yl ester. Succinic acid, ethyl pent-4-en-2-yl ester. Succinic acid, 2,2-dichloroethyl but-3-en-1-yl ester. Succinic acid, hept-2-yl but-3-en-1-yl ester. Succinic acid, dec-2-yl but-3-en-1-yl ester. Succinic acid, 3-methylbut-2-en-1-yl but-3-en-1-yl ester.

Find more compounds similar to Succinic acid, but-3-yn-2-yl but-3-en-1-yl ester.

Sources

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