Chemical Properties of Fumaric acid, pentafluorobenzyl 4-chloro-3-methylphenyl ester

Fumaric acid, pentafluorobenzyl 4-chloro-3-methylphenyl ester

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InChI
InChI=1S/C18H10ClF5O4/c1-8-6-9(2-3-11(8)19)28-13(26)5-4-12(25)27-7-10-14(20)16(22)18(24)17(23)15(10)21/h2-6H,7H2,1H3/b5-4+
InChI Key
KYJINWZVQHDSRM-SNAWJCMRSA-N
Formula
C18H10ClF5O4
SMILES
Cc1cc(OC(=O)C=CC(=O)OCc2c(F)c(F)c(F)c(F)c2F)ccc1Cl
Molecular Weight1
420.71
Sources

Physical Properties

Property Value Unit Source
Δf -1115.51 kJ/mol Joback Calculated Property
Δfgas -1390.75 kJ/mol Joback Calculated Property
Δfus 53.11 kJ/mol Joback Calculated Property
Δvap 83.42 kJ/mol Joback Calculated Property
logPoct/wat 4.55 Crippen Calculated Property
Pc 1591.08 kPa Joback Calculated Property
Tboil 889.98 K Joback Calculated Property
Tc 1101.71 K Joback Calculated Property
Tfus 605.21 K Joback Calculated Property
Vc 0.99 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 691.06 J/mol×K 889.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 5
=CH- (ring) 3
=C< (ring) 9
-CH2- 1
-Cl 1
=CH- 2
-CH3 1
>C=O (nonring) 2

Similar Compounds

Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester. Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester. Fumaric acid, pentafluorobenzyl 2-chloro-6-fluorophenyl ester. Fumaric acid, pentafluorobenzyl 2,3-dichlorophenyl ester. Fumaric acid, di(pentafluorobenzyl) ester. MCPB, PFB. (4-Chloro-2-methylphenoxy)acetic acid, pentafluorobenzyl ester. Succinic acid, 2-chlorophenyl pentafluorobenzyl ester. MCPP PFB ester. Fumaric acid, pentafluorobenzyl naphth-2-ylmethyl ester. CPIB PFB ester. Glutaric acid, 2,4,6-trichlorophenyl pentafluorobenzyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, pentafluorobenzyl ester. Succinic acid, 3,5-difluorophenyl pentafluorobenzyl ester. Fumaric acid, 1-phenylprop-1-yl 4-chloro-3-methylphenyl ester.

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