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

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

InChI
InChI=1S/C13H14BrFO5/c1-2-5-19-12(16)7-18-8-13(17)20-11-4-3-9(15)6-10(11)14/h3-4,6H,2,5,7-8H2,1H3
InChI Key
WMHFTEYKVPTGBP-UHFFFAOYSA-N
Formula
C13H14BrFO5
SMILES
CCCOC(=O)COCC(=O)Oc1ccc(F)cc1Br
Molecular Weight1
349.15
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Physical Properties

Property Value Unit Source
Δfus 40.98 kJ/mol Joback Calculated Property
logPoct/wat 2.463 Crippen Calculated Property
McVol 210.290 ml/mol McGowan Calculated Property
Inp [2652.00; 2652.00]   Show Hide
Inp 2652.00 NIST
Inp 2652.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [549.37; 606.59] J/mol×K [737.97; 944.30] Show Hide
Cp,gas 549.37 J/mol×K 737.97 Joback Calculated Property
Cp,gas 561.23 J/mol×K 772.36 Joback Calculated Property
Cp,gas 572.16 J/mol×K 806.75 Joback Calculated Property
Cp,gas 582.17 J/mol×K 841.13 Joback Calculated Property
Cp,gas 591.24 J/mol×K 875.52 Joback Calculated Property
Cp,gas 599.38 J/mol×K 909.91 Joback Calculated Property
Cp,gas 606.59 J/mol×K 944.30 Joback Calculated Property

Similar Compounds

Diglycolic acid, 2-bromo-4-fluorophenyl isobutyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl butyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl ethyl 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. Diglycolic acid, 4-bromophenyl propyl ester. Diglycolic acid, 4-bromophenyl pentyl ester. Succinic acid, 2-bromo-4-fluorophenyl 2-ethoxyethyl ester. Diglycolic acid, 4-bromophenyl butyl ester. Diglycolic acid, di(2-bromo-4-fluorophenyl) ester.

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

Sources

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