Chemical Properties of Diglycolic acid, di(2-bromo-4-fluorophenyl) ester

Diglycolic acid, di(2-bromo-4-fluorophenyl) ester

InChI
InChI=1S/C16H10Br2F2O5/c17-11-5-9(19)1-3-13(11)24-15(21)7-23-8-16(22)25-14-4-2-10(20)6-12(14)18/h1-6H,7-8H2
InChI Key
NIFJDLHXGABPDV-UHFFFAOYSA-N
Formula
C16H10Br2F2O5
SMILES
O=C(COCC(=O)Oc1ccc(F)cc1Br)Oc1ccc(F)cc1Br
Molecular Weight1
480.05
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Physical Properties

Property Value Unit Source
Δfus 50.38 kJ/mol Joback Calculated Property
IE 8.38 eV Relay (1.0) Calculated Property
logPoct/wat 4.017 Crippen Calculated Property
McVol 248.070 ml/mol McGowan Calculated Property
Inp [3472.00; 3472.00]   Show Hide
Inp 3472.00 NIST
Inp 3472.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [645.95; 675.49] J/mol×K [908.68; 1143.09] Show Hide
Cp,gas 645.95 J/mol×K 908.68 Joback Calculated Property
Cp,gas 653.88 J/mol×K 947.75 Joback Calculated Property
Cp,gas 660.58 J/mol×K 986.82 Joback Calculated Property
Cp,gas 666.08 J/mol×K 1025.89 Joback Calculated Property
Cp,gas 670.39 J/mol×K 1064.95 Joback Calculated Property
Cp,gas 673.52 J/mol×K 1104.02 Joback Calculated Property
Cp,gas 675.49 J/mol×K 1143.09 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Diglycolic acid, di(2-bromo-4-fluorophenyl) ester.

Sources

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