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

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

InChI
InChI=1S/C15H15ClO4/c1-3-11(2)19-14(17)8-5-9-15(18)20-13-7-4-6-12(16)10-13/h1,4,6-7,10-11H,5,8-9H2,2H3
InChI Key
GKRYKNZQLIGYND-UHFFFAOYSA-N
Formula
C15H15ClO4
SMILES
C#CC(C)OC(=O)CCCC(=O)Oc1cccc(Cl)c1
Molecular Weight1
294.73
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Physical Properties

Property Value Unit Source
ΔfusH° 40.65 kJ/mol Joback Calculated Property
IE 8.92 eV Relay (1.0) Calculated Property
log10WS -3.86 Relay (1.0) Calculated Property
logPoct/wat 2.981 Crippen Calculated Property
McVol 216.970 ml/mol McGowan Calculated Property
Inp [1921.00; 1921.00]   Show Hide
Inp 1921.00 NIST
Inp 1921.00 NIST
Tfus 312.02 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [562.36; 626.74] J/mol×K [718.01; 935.76] Show Hide
Cp,gas 562.36 J/mol×K 718.01 Joback Calculated Property
Cp,gas 575.68 J/mol×K 754.30 Joback Calculated Property
Cp,gas 587.93 J/mol×K 790.59 Joback Calculated Property
Cp,gas 599.13 J/mol×K 826.89 Joback Calculated Property
Cp,gas 609.32 J/mol×K 863.18 Joback Calculated Property
Cp,gas 618.52 J/mol×K 899.47 Joback Calculated Property
Cp,gas 626.74 J/mol×K 935.76 Joback Calculated Property

Similar Compounds

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

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

Sources

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