Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 1-bromo-3,3,3-trifluoroprop-2-yl ester

Succinic acid, 2-chloro-6-fluorophenyl 1-bromo-3,3,3-trifluoroprop-2-yl ester

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InChI
InChI=1S/C13H10BrClF4O4/c14-6-9(13(17,18)19)22-10(20)4-5-11(21)23-12-7(15)2-1-3-8(12)16/h1-3,9H,4-6H2
InChI Key
PNFSSEMKWPUOHO-UHFFFAOYSA-N
Formula
C13H10BrClF4O4
SMILES
O=C(CCC(=O)OC(CBr)C(F)(F)F)Oc1c(F)cccc1Cl
Molecular Weight1
421.57
Sources

Physical Properties

Property Value Unit Source
Δf -1092.56 kJ/mol Joback Calculated Property
Δfgas -1375.54 kJ/mol Joback Calculated Property
Δfus 39.13 kJ/mol Joback Calculated Property
Δvap 72.31 kJ/mol Joback Calculated Property
logPoct/wat 4.03 Crippen Calculated Property
Pc 2077.43 kPa Joback Calculated Property
Tboil 783.06 K Joback Calculated Property
Tc 988.67 K Joback Calculated Property
Tfus 511.55 K Joback Calculated Property
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 579.29 J/mol×K 783.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-F 4
=CH- (ring) 3
=C< (ring) 3
-CH2- 3
-Cl 1
>C< 1
>C=O (nonring) 2
-Br 1

Similar Compounds

Succinic acid, 2-chloro-6-fluorophenyl 2-fluoroethyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2,2,3,3,3-pentafluoropropyl ester. Succinic acid, 2-chloro-6-fluorophenyl pent-4-en-1-yl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2,2,2-trichloroethyl ester. Succinic acid, 2-chloro-6-fluorophenyl 8-chlorooctyl ester. Succinic acid, 2-chloro-6-fluorophenyl 10-chlorodecyl ester. Succinic acid, 2-chloro-6-fluorophenyl dodec-9-yn-1-yl ester. Succinic acid, 2-chloro-6-fluorophenyl tetrahydrofurfuryl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-fluoroethyl ester. Succinic acid, 2-chloro-6-fluorophenyl adamant-2-yl ester. Glutaric acid, but-3-yn-2-yl 2-chloro-6-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl (2-chlorocyclohexyl)methyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2,2,3,4,4,4-hexafluorobutyl ester.

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