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

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

InChI
InChI=1S/C15H15BrO4/c1-3-11(2)19-14(17)5-4-6-15(18)20-13-9-7-12(16)8-10-13/h1,7-11H,4-6H2,2H3
InChI Key
ZNUQBOCKIUAPJT-UHFFFAOYSA-N
Formula
C15H15BrO4
SMILES
C#CC(C)OC(=O)CCCC(=O)Oc1ccc(Br)cc1
Molecular Weight1
339.18
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Physical Properties

Property Value Unit Source
ΔfusH° 41.73 kJ/mol Joback Calculated Property
IE 8.58 eV Relay (1.0) Calculated Property
logPoct/wat 3.090 Crippen Calculated Property
McVol 222.230 ml/mol McGowan Calculated Property
Inp [2200.00; 2200.00]   Show Hide
Inp 2200.00 NIST
Inp 2200.00 NIST
Tfus 340.01 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [573.75; 634.61] J/mol×K [746.74; 971.64] Show Hide
Cp,gas 573.75 J/mol×K 746.74 Joback Calculated Property
Cp,gas 586.52 J/mol×K 784.22 Joback Calculated Property
Cp,gas 598.19 J/mol×K 821.71 Joback Calculated Property
Cp,gas 608.80 J/mol×K 859.19 Joback Calculated Property
Cp,gas 618.39 J/mol×K 896.67 Joback Calculated Property
Cp,gas 626.98 J/mol×K 934.15 Joback Calculated Property
Cp,gas 634.61 J/mol×K 971.64 Joback Calculated Property

Similar Compounds

Succinic acid, but-3-yn-2-yl 4-bromophenyl ester. Glutaric acid, but-3-yn-2-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, 4-bromophenyl 1,1,1-trifluoroprop-2-yl ester. Glutaric acid, hex-4-yn-3-yl 4-bromophenyl ester. Glutaric acid, but-3-yn-2-yl 4-bromo-2-methoxyphenyl ester. Glutaric acid, 4-bromophenyl ethyl ester. Glutaric acid, but-3-yn-2-yl 4-biphenyl ester. Glutaric acid, but-3-yn-2-yl 3-chlorophenyl ester. Glutaric acid, but-3-yn-2-yl 3-fluorophenyl ester. Glutaric acid, but-3-yl-2-yn 1-naphthyl ester. Glutaric acid, but-3-yn-2-yl 2-chlorophenyl ester. Glutaric acid, 2-fluorophenyl but-3-yn-2-yl ester. Glutaric acid, 4-bromophenyl propyl ester. Glutaric acid, but-3-yn-2-yl 2,5-dichlorophenyl ester. Glutaric acid, but-3-yn-2-yl 2-methoxyphenyl ester.

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

Sources

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