Chemical Properties of Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester

Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester

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InChI
InChI=1S/C17H6Cl3F5O4/c18-6-3-8(19)17(9(20)4-6)29-11(27)2-1-10(26)28-5-7-12(21)14(23)16(25)15(24)13(7)22/h1-4H,5H2/b2-1+
InChI Key
BDDSAMTTYHSXNH-OWOJBTEDSA-N
Formula
C17H6Cl3F5O4
SMILES
O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
475.58
Sources

Physical Properties

Property Value Unit Source
Δf -1157.42 kJ/mol Joback Calculated Property
Δfgas -1413.06 kJ/mol Joback Calculated Property
Δfus 58.52 kJ/mol Joback Calculated Property
Δvap 90.62 kJ/mol Joback Calculated Property
logPoct/wat 5.55 Crippen Calculated Property
Pc 1600.00 kPa Joback Calculated Property
Tboil 946.94 K Joback Calculated Property
Tc 1168.90 K Joback Calculated Property
Tfus 666.30 K Joback Calculated Property
Vc 1.04 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 669.87 J/mol×K 946.94 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Fumaric acid, pentafluorobenzyl 2,3-dichlorophenyl ester. Fumaric acid, pentafluorobenzyl 2-chloro-6-fluorophenyl ester. Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester. Glutaric acid, 2,4,6-trichlorophenyl pentafluorobenzyl ester. Fumaric acid, pentafluorobenzyl 4-chloro-3-methylphenyl ester. (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester. Succinic acid, 2-chlorophenyl pentafluorobenzyl ester. 2,4-DP, PFB ester. 2,4,5-T, PFB. 2,4,5-TB PFB ester. Glutaric acid, 2,3-dichlorophenyl pentafluorobenzyl ester. Fumaric acid, 2,4,6-trichlorophenyl naphth-2-ylmethyl ester. Silvex, PFB ester. Glutaric acid, 2-chloro-6-fluorophenyl pentafluorobenzyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, pentafluorobenzyl ester.

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