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

Glutaric acid, hex-4-yn-3-yl 4-bromophenyl ester

InChI
InChI=1S/C17H19BrO4/c1-3-6-14(4-2)21-16(19)7-5-8-17(20)22-15-11-9-13(18)10-12-15/h9-12,14H,4-5,7-8H2,1-2H3
InChI Key
XDBCSDVGZSIQAW-UHFFFAOYSA-N
Formula
C17H19BrO4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)Oc1ccc(Br)cc1
Molecular Weight1
367.24
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Physical Properties

Property Value Unit Source
ΔfusH° 47.06 kJ/mol Joback Calculated Property
logPoct/wat 3.870 Crippen Calculated Property
McVol 250.410 ml/mol McGowan Calculated Property
Inp [2441.00; 2441.00]   Show Hide
Inp 2441.00 NIST
Inp 2441.00 NIST
Tfus 334.48 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, 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 [683.88; 747.26] J/mol×K [811.38; 1037.99] Show Hide
Cp,gas 683.88 J/mol×K 811.38 Joback Calculated Property
Cp,gas 697.40 J/mol×K 849.15 Joback Calculated Property
Cp,gas 709.71 J/mol×K 886.92 Joback Calculated Property
Cp,gas 720.81 J/mol×K 924.68 Joback Calculated Property
Cp,gas 730.76 J/mol×K 962.45 Joback Calculated Property
Cp,gas 739.56 J/mol×K 1000.22 Joback Calculated Property
Cp,gas 747.26 J/mol×K 1037.99 Joback Calculated Property

Similar Compounds

Succinic acid, hex-4-yn-3-yl 4-bromophenyl ester. Glutaric acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 4-biphenyl ester. Glutaric acid, hex-4-yn-3-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 3-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 2-methoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 3-chlorophenyl ester. Glutaric acid, hex-4-yn-3-yl 1-naphthyl ester. Glutaric acid, hex-4-yn-3-yl 3-methylphenyl ester. Glutaric acid, hex-4-yn-3-yl 4-nitrophenyl ester. Glutaric acid, but-3-yl-2-yn 4-bromophenyl ester. Glutaric acid, hex-4-yn-3-yl 4-acetylphenyl ester. Glutaric acid, hex-4-yn-3-yl 2,4-dichlorophenyl ester. Glutaric acid, hex-4-yn-3-yl 2,6-dimethoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 4-chloro-2-methoxyphenyl ester.

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

Sources

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