Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-bromo-4-fluorophenyl ester

Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C14H13BrF4O4/c1-8(14(17,18)19)22-12(20)3-2-4-13(21)23-11-6-5-9(16)7-10(11)15/h5-8H,2-4H2,1H3
InChI Key
JAQSBRFFGSCRFN-UHFFFAOYSA-N
Formula
C14H13BrF4O4
SMILES
CC(OC(=O)CCCC(=O)Oc1ccc(F)cc1Br)C(F)(F)F
Molecular Weight1
401.15
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Physical Properties

Property Value Unit Source
Δfus 40.68 kJ/mol Joback Calculated Property
logPoct/wat 4.158 Crippen Calculated Property
McVol 223.820 ml/mol McGowan Calculated Property
Inp [1845.00; 1845.00]   Show Hide
Inp 1845.00 NIST
Inp 1845.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [603.25; 659.29] J/mol×K [732.57; 928.66] Show Hide
Cp,gas 603.25 J/mol×K 732.57 Joback Calculated Property
Cp,gas 614.76 J/mol×K 765.25 Joback Calculated Property
Cp,gas 625.36 J/mol×K 797.93 Joback Calculated Property
Cp,gas 635.09 J/mol×K 830.61 Joback Calculated Property
Cp,gas 643.96 J/mol×K 863.29 Joback Calculated Property
Cp,gas 652.02 J/mol×K 895.97 Joback Calculated Property
Cp,gas 659.29 J/mol×K 928.66 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-bromo-4-fluorophenyl ester.

Sources

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