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

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

InChI
InChI=1S/C15H18BrFO5/c1-2-3-4-7-21-14(18)9-20-10-15(19)22-13-6-5-11(17)8-12(13)16/h5-6,8H,2-4,7,9-10H2,1H3
InChI Key
PMNQKJUELUVKFP-UHFFFAOYSA-N
Formula
C15H18BrFO5
SMILES
CCCCCOC(=O)COCC(=O)Oc1ccc(F)cc1Br
Molecular Weight1
377.20
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Physical Properties

Property Value Unit Source
Δfus 43.00 kJ/mol Joback Calculated Property
logPoct/wat 3.244 Crippen Calculated Property
McVol 238.470 ml/mol McGowan Calculated Property
Inp [2936.00; 2936.00]   Show Hide
Inp 2936.00 NIST
Inp 2936.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [664.93; 723.98] J/mol×K [819.67; 1027.00] Show Hide
Cp,gas 664.93 J/mol×K 819.67 Joback Calculated Property
Cp,gas 677.20 J/mol×K 854.23 Joback Calculated Property
Cp,gas 688.49 J/mol×K 888.78 Joback Calculated Property
Cp,gas 698.82 J/mol×K 923.34 Joback Calculated Property
Cp,gas 708.18 J/mol×K 957.89 Joback Calculated Property
Cp,gas 716.56 J/mol×K 992.45 Joback Calculated Property
Cp,gas 723.98 J/mol×K 1027.00 Joback Calculated Property

Similar Compounds

Diglycolic acid, 2-bromo-4-fluorophenyl hexyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl butyl 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 octyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl isohexyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl propyl ester. Diglycolic acid, 4-bromophenyl pentyl ester. Diglycolic acid, 4-bromophenyl hexyl ester. Diglycolic acid, 4-bromophenyl octyl ester. Diglycolic acid, 4-bromophenyl heptyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl isobutyl ester. Diglycolic acid, 4-bromophenyl butyl ester. Diglycolic acid, 4-bromophenyl isohexyl ester.

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

Sources

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