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

Glutaric acid, but-3-yn-2-yl 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C15H14BrFO4/c1-3-10(2)20-14(18)5-4-6-15(19)21-13-8-7-11(17)9-12(13)16/h1,7-10H,4-6H2,2H3
InChI Key
WXNZDZQNUBXBBE-UHFFFAOYSA-N
Formula
C15H14BrFO4
SMILES
C#CC(C)OC(=O)CCCC(=O)Oc1ccc(F)cc1Br
Molecular Weight1
357.17
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Physical Properties

Property Value Unit Source
Δfus 44.42 kJ/mol Joback Calculated Property
logPoct/wat 3.229 Crippen Calculated Property
McVol 224.000 ml/mol McGowan Calculated Property
Inp 2072.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [580.21; 638.08] J/mol×K [750.99; 968.02] Show Hide
Cp,gas 580.21 J/mol×K 750.99 Joback Calculated Property
Cp,gas 592.28 J/mol×K 787.16 Joback Calculated Property
Cp,gas 603.34 J/mol×K 823.33 Joback Calculated Property
Cp,gas 613.43 J/mol×K 859.51 Joback Calculated Property
Cp,gas 622.57 J/mol×K 895.68 Joback Calculated Property
Cp,gas 630.78 J/mol×K 931.85 Joback Calculated Property
Cp,gas 638.08 J/mol×K 968.02 Joback Calculated Property

Similar Compounds

Succinic acid, but-3-yn-2-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, 2,2-dichloroethyl 2-bromo-4-fluorophenyl ester. Glutaric acid, but-3-yl-2-yn 4-bromophenyl ester. Sebacic acid, 2-bromo-4-fluorophenyl ethyl ester. Glutaric acid, tridec-2-yn-1-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, dec-2-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, hept-2-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, 3-methylbut-2-yl 2-bromo-4-fluorophenyl ester. Sebacic acid, 2-bromo-4-fluorophenyl pentyl ester. Sebacic acid, 2-bromo-4-fluorophenyl propyl ester. Sebacic acid, 2-bromo-4-fluorophenyl dodecyl ester. Sebacic acid, 2-bromo-4-fluorophenyl octyl ester. Sebacic acid, 2-bromo-4-fluorophenyl undecyl ester.

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

Sources

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