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

Succinic acid, but-3-yn-2-yl 4-chlorobenzyl ester

InChI
InChI=1S/C15H15ClO4/c1-3-11(2)20-15(18)9-8-14(17)19-10-12-4-6-13(16)7-5-12/h1,4-7,11H,8-10H2,2H3
InChI Key
HDKVGSNXPMVFCM-UHFFFAOYSA-N
Formula
C15H15ClO4
SMILES
C#CC(C)OC(=O)CCC(=O)OCc1ccc(Cl)cc1
Molecular Weight1
294.73
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Physical Properties

Property Value Unit Source
ΔfusH° 40.65 kJ/mol Joback Calculated Property
log10WS -3.88 Relay (1.0) Calculated Property
logPoct/wat 2.728 Crippen Calculated Property
McVol 216.970 ml/mol McGowan Calculated Property
Inp [2088.00; 2088.00]   Show Hide
Inp 2088.00 NIST
Inp 2088.00 NIST
Tfus 320.62 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [303.56; 638.97] 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 A4.54530e+01
Coefficient B1.09962e+00
Coefficient C-5.86690e-04
Coefficient D8.05900e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.56 J/mol×K 273.00 Calculated Property
Cp,gas 364.61 J/mol×K 353.78 Calculated Property
Cp,gas 419.12 J/mol×K 434.56 Calculated Property
Cp,gas 467.35 J/mol×K 515.33 Calculated Property
Cp,gas 509.54 J/mol×K 596.11 Calculated Property
Cp,gas 545.96 J/mol×K 676.89 Calculated Property
Cp,gas 576.86 J/mol×K 757.67 Calculated Property
Cp,gas 602.49 J/mol×K 838.44 Calculated Property
Cp,gas 623.11 J/mol×K 919.22 Calculated Property
Cp,gas 638.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, but-3-yn-2-yl 4-chlorobenzyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 4-chlorobenzyl ester. Succinic acid, but-3-yn-2-yl 3-phenoxybenzyl ester. Succinic acid, 2,2-dichloroethyl 4-chlorobenzyl ester. Succinic acid, di(4-chlorobenzyl) ester. Succinic acid, 3-methylbut-2-yl 4-chlorobenzyl ester. Succinic acid, 4-chlorobenzyl tridec-2-yn-1-yl ester. Glutaric acid, but-3-yn-2-yl (2-naphthyl)methyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-chlorobenzyl ester. Succinic acid, 2,4-dichlorobenzyl ethyl ester. Succinic acid, 4-chlorobenzyl tridecyl ester. Glutaric acid, 4-chlorobenzyl ethyl ester. Succinic acid, 3-chlorobenzyl ethyl ester. Succinic acid, hept-2-yl 4-chlorobenzyl ester. Succinic acid, dec-2-yl 4-chlorobenzyl ester.

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

Sources

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