Chemical Properties of Glutaric acid, but-3-yn-2-yl 2-chlorophenyl ester

Glutaric acid, but-3-yn-2-yl 2-chlorophenyl ester

InChI
InChI=1S/C15H15ClO4/c1-3-11(2)19-14(17)9-6-10-15(18)20-13-8-5-4-7-12(13)16/h1,4-5,7-8,11H,6,9-10H2,2H3
InChI Key
RAWGXOPRUIQTHU-UHFFFAOYSA-N
Formula
C15H15ClO4
SMILES
C#CC(C)OC(=O)CCCC(=O)Oc1ccccc1Cl
Molecular Weight1
294.73
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Physical Properties

Property Value Unit Source
ΔfusH° 40.65 kJ/mol Joback Calculated Property
IE 8.80 eV Relay (1.0) Calculated Property
log10WS -3.61 Relay (1.0) Calculated Property
logPoct/wat 2.981 Crippen Calculated Property
McVol 216.970 ml/mol McGowan Calculated Property
Inp [2004.00; 2004.00]   Show Hide
Inp 2004.00 NIST
Inp 2004.00 NIST
Tfus 327.68 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 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 2,4-dichlorophenyl ester. Glutaric acid, 2,3-dichlorophenyl but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl 2,5-dichlorophenyl ester. Glutaric acid, but-3-yn-2-yl 3-chlorophenyl ester. Glutaric acid, but-3-yn-2-yl 2,6-dichlorophenyl ester. Glutaric acid, but-3-yn-2-yl 2,3,5-trichlorophenyl ester. Succinic acid, but-3-yn-2-yl 2-chlorophenyl ester. Glutaric acid, but-3-yn-2-yl 2,4,5-trichlorophenyl ester. Glutaric acid, 2,4,6-trichlorophenyl but-3-yn-2-yl ester. Glutaric acid, 2-chlorophenyl ethyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chlorophenyl ester. Glutaric acid, but-3-yn-2-yl 2-chloro-5-methylphenyl ester. Glutaric acid, but-3-yn-2-yl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-fluorophenyl but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl 3-fluorophenyl ester.

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

Sources

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