Chemical Properties of Fumaric acid, 4-bromophenyl 2-chloro-6-fluorophenyl ester

Fumaric acid, 4-bromophenyl 2-chloro-6-fluorophenyl ester

InChI
InChI=1S/C16H9BrClFO4/c17-10-4-6-11(7-5-10)22-14(20)8-9-15(21)23-16-12(18)2-1-3-13(16)19/h1-9H/b9-8+
InChI Key
VJNLWFLQDHCGFG-CMDGGOBGSA-N
Formula
C16H9BrClFO4
SMILES
O=C(/C=C/C(=O)Oc1c(F)cccc1Cl)Oc1ccc(Br)cc1
Molecular Weight1
399.60
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Physical Properties

Property Value Unit Source
Δfus 42.45 kJ/mol Joback Calculated Property
logPoct/wat 4.309 Crippen Calculated Property
McVol 230.870 ml/mol McGowan Calculated Property
Inp 2585.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [585.86; 626.80] J/mol×K [893.38; 1140.67] Show Hide
Cp,gas 585.86 J/mol×K 893.38 Joback Calculated Property
Cp,gas 595.00 J/mol×K 934.59 Joback Calculated Property
Cp,gas 603.14 J/mol×K 975.81 Joback Calculated Property
Cp,gas 610.34 J/mol×K 1017.02 Joback Calculated Property
Cp,gas 616.65 J/mol×K 1058.24 Joback Calculated Property
Cp,gas 622.12 J/mol×K 1099.45 Joback Calculated Property
Cp,gas 626.80 J/mol×K 1140.67 Joback Calculated Property

Similar Compounds

Fumaric acid, 4-chlorophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2,4-dichlorophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2-chlorophenyl 2-fluorophenyl ester. Fumaric acid, 2,6-dichlorophenyl 2-fluorophenyl ester. Fumaric acid, 4-cyanophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2,4-dichlorophenyl 2-fluorophenyl ester. Fumaric acid, 2-methoxyphenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, naphth-1-yl 2-chloro-6-fluorophenyl ester. Fumaric acid, 4-bromophenyl 2-fluorophenyl ester. Fumaric acid, 2,5-dichlorophenyl 2-fluorophenyl ester. Fumaric acid, 2,4,6-trichlorophenyl 2-fluorophenyl ester. Fumaric acid, 2,6-dimethoxyphenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 3,5-dimethylphenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 3-chlorophenyl 2-fluorophenyl ester. Fumaric acid, 4-bromophenyl 2,4,6-trichlorophenyl ester.

Find more compounds similar to Fumaric acid, 4-bromophenyl 2-chloro-6-fluorophenyl ester.

Sources

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