Chemical Properties of 2,4,5-TB PFB ester

2,4,5-TB PFB ester

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InChI
InChI=1S/C17H10Cl3F5O3/c18-8-4-10(20)11(5-9(8)19)27-3-1-2-12(26)28-6-7-13(21)15(23)17(25)16(24)14(7)22/h4-5H,1-3,6H2
InChI Key
ABFWDLIGMFYBPC-UHFFFAOYSA-N
Formula
C17H10Cl3F5O3
SMILES
O=C(CCCOc1cc(Cl)c(Cl)cc1Cl)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
463.61
Sources

Physical Properties

Property Value Unit Source
Δf -1108.72 kJ/mol Joback Calculated Property
Δfgas -1417.70 kJ/mol Joback Calculated Property
Δfus 56.72 kJ/mol Joback Calculated Property
Δvap 83.92 kJ/mol Joback Calculated Property
logPoct/wat 6.24 Crippen Calculated Property
Pc 1462.37 kPa Joback Calculated Property
Tboil 888.91 K Joback Calculated Property
Tc 1098.91 K Joback Calculated Property
Tfus 621.45 K Joback Calculated Property
Vc 1.05 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 695.42 J/mol×K 888.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 5
=CH- (ring) 2
=C< (ring) 10
-CH2- 4
-Cl 3
>C=O (nonring) 1

Similar Compounds

2,4,5-T, PFB. Silvex, PFB ester. Succinic acid, 2-chlorophenyl pentafluorobenzyl ester. Glutaric acid, 2,4,6-trichlorophenyl pentafluorobenzyl ester. Glutaric acid, 2,3-dichlorophenyl pentafluorobenzyl ester. 2,4-DP, PFB ester. (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester. MCPB, PFB. Glutaric acid, 2-chloro-6-fluorophenyl pentafluorobenzyl ester. Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester. Fumaric acid, pentafluorobenzyl 2,3-dichlorophenyl ester. Succinic acid, 3,5-difluorophenyl pentafluorobenzyl ester. Succinic acid, 2-isopropoxyphenyl pentafluorobenzyl ester. CPIB PFB ester. MCPP PFB ester.

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