Chemical Properties of Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester

Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester

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InChI
InChI=1S/C17H8ClF5O4/c18-8-2-1-3-9(6-8)27-12(25)5-4-11(24)26-7-10-13(19)15(21)17(23)16(22)14(10)20/h1-6H,7H2/b5-4+
InChI Key
YWGFYOJDDQSAEK-SNAWJCMRSA-N
Formula
C17H8ClF5O4
SMILES
O=C(C=CC(=O)Oc1cccc(Cl)c1)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
406.69
Sources

Physical Properties

Property Value Unit Source
Δf -1114.30 kJ/mol Joback Calculated Property
Δfgas -1358.64 kJ/mol Joback Calculated Property
Δfus 50.91 kJ/mol Joback Calculated Property
Δvap 80.53 kJ/mol Joback Calculated Property
logPoct/wat 4.24 Crippen Calculated Property
Pc 1741.91 kPa Joback Calculated Property
Tboil 862.12 K Joback Calculated Property
Tc 1072.85 K Joback Calculated Property
Tfus 581.42 K Joback Calculated Property
Vc 0.94 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 637.79 J/mol×K 862.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 5
=CH- (ring) 4
=C< (ring) 8
-CH2- 1
-Cl 1
=CH- 2
>C=O (nonring) 2

Similar Compounds

Fumaric acid, pentafluorobenzyl 2,3-dichlorophenyl ester. Fumaric acid, pentafluorobenzyl 4-chloro-3-methylphenyl ester. Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester. Fumaric acid, pentafluorobenzyl 2-chloro-6-fluorophenyl ester. Fumaric acid, di(pentafluorobenzyl) ester. Glutaric acid, 2,3-dichlorophenyl pentafluorobenzyl ester. Succinic acid, 2-chlorophenyl pentafluorobenzyl ester. Fumaric acid, pentafluorobenzyl naphth-2-ylmethyl ester. Fumaric acid, pentafluorobenzyl 8-chlorooctyl ester. 2,4,5-T, PFB. (2,4-Dichlorophenoxy)acetic acid, pentafluorobenzyl ester. Fumaric acid, monoamide, N-allyl-, pentafluorobenzyl ester. 2,4,5-TB PFB ester. Glutaric acid, 2,4,6-trichlorophenyl pentafluorobenzyl ester. MCPB, PFB.

Find more compounds similar to Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester.

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