Chemical Properties of Diglycolic acid, 2-bromo-4-fluorophenyl ethyl ester

Diglycolic acid, 2-bromo-4-fluorophenyl ethyl ester

InChI
InChI=1S/C12H12BrFO5/c1-2-18-11(15)6-17-7-12(16)19-10-4-3-8(14)5-9(10)13/h3-5H,2,6-7H2,1H3
InChI Key
AAURJXDVRUDXIE-UHFFFAOYSA-N
Formula
C12H12BrFO5
SMILES
CCOC(=O)COCC(=O)Oc1ccc(F)cc1Br
Molecular Weight1
335.12
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Physical Properties

Property Value Unit Source
Δfus 38.39 kJ/mol Joback Calculated Property
logPoct/wat 2.073 Crippen Calculated Property
McVol 196.200 ml/mol McGowan Calculated Property
Inp 2518.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [497.41; 552.60] J/mol×K [715.09; 923.84] Show Hide
Cp,gas 497.41 J/mol×K 715.09 Joback Calculated Property
Cp,gas 508.83 J/mol×K 749.88 Joback Calculated Property
Cp,gas 519.36 J/mol×K 784.67 Joback Calculated Property
Cp,gas 529.01 J/mol×K 819.47 Joback Calculated Property
Cp,gas 537.78 J/mol×K 854.26 Joback Calculated Property
Cp,gas 545.64 J/mol×K 889.05 Joback Calculated Property
Cp,gas 552.60 J/mol×K 923.84 Joback Calculated Property

Similar Compounds

Diglycolic acid, 2-bromo-4-fluorophenyl propyl ester. Diglycolic acid, di(2-bromo-4-fluorophenyl) ester. Diglycolic acid, 2-bromo-4-fluorophenyl isobutyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl butyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl pentyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl hexyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl decyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl heptyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl octyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl nonyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl isohexyl ester. Succinic acid, 2-bromo-4-fluorophenyl 2-ethoxyethyl ester. Diglycolic acid, 4-bromophenyl ethyl ester. Succinic acid, 2-bromo-4-fluorophenyl 2-methoxyethyl ester. Diglycolic acid, 4-bromophenyl propyl ester.

Find more compounds similar to Diglycolic acid, 2-bromo-4-fluorophenyl ethyl ester.

Sources

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