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

Glutaric acid, but-3-yn-2-yl 2,4-dichlorophenyl ester

InChI
InChI=1S/C15H14Cl2O4/c1-3-10(2)20-14(18)5-4-6-15(19)21-13-8-7-11(16)9-12(13)17/h1,7-10H,4-6H2,2H3
InChI Key
IUTYWGZQJATXLI-UHFFFAOYSA-N
Formula
C15H14Cl2O4
SMILES
C#CC(C)OC(=O)CCCC(=O)Oc1ccc(Cl)cc1Cl
Molecular Weight1
329.18
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Physical Properties

Property Value Unit Source
ΔfusH° 44.45 kJ/mol Joback Calculated Property
IE 8.75 eV Relay (1.0) Calculated Property
log10WS -4.38 Relay (1.0) Calculated Property
logPoct/wat 3.634 Crippen Calculated Property
McVol 229.210 ml/mol McGowan Calculated Property
Inp [2199.00; 2199.00]   Show Hide
Inp 2199.00 NIST
Inp 2199.00 NIST
Tboil 612.64 K Relay (1.0) Calculated Property
Tfus 331.60 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [319.52; 644.20] 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 A7.26430e+01
Coefficient B1.04692e+00
Coefficient C-5.40050e-04
Coefficient D6.46900e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 319.52 J/mol×K 273.00 Calculated Property
Cp,gas 378.29 J/mol×K 353.78 Calculated Property
Cp,gas 430.91 J/mol×K 434.56 Calculated Property
Cp,gas 477.59 J/mol×K 515.33 Calculated Property
Cp,gas 518.52 J/mol×K 596.11 Calculated Property
Cp,gas 553.91 J/mol×K 676.89 Calculated Property
Cp,gas 583.98 J/mol×K 757.67 Calculated Property
Cp,gas 608.91 J/mol×K 838.44 Calculated Property
Cp,gas 628.92 J/mol×K 919.22 Calculated Property
Cp,gas 644.20 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, but-3-yn-2-yl 2-chlorophenyl 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 2,4,5-trichlorophenyl ester. Glutaric acid, 2,4,6-trichlorophenyl but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl 2,6-dichlorophenyl ester. Glutaric acid, but-3-yn-2-yl 2,3,5-trichlorophenyl ester. Glutaric acid, but-3-yn-2-yl 3-chlorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4-dichlorophenyl ester. Glutaric acid, hex-4-yn-3-yl 2,4-dichlorophenyl ester. Glutaric acid, but-3-yn-2-yl 2-chloro-5-methylphenyl ester. Succinic acid, but-3-yn-2-yl 2-chlorophenyl ester. Glutaric acid, but-3-yn-2-yl 4-chloro-2-methoxyphenyl ester. Glutaric acid, but-3-yn-2-yl 2,4-dichloro-1-naphthyl ester. Glutaric acid, but-3-yn-2-yl 2-chloro-6-fluorophenyl ester.

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

Sources

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