Chemical Properties of MCPB, PFB

MCPB, PFB

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InChI
InChI=1S/C18H14ClF5O3/c1-9-7-10(19)4-5-12(9)26-6-2-3-13(25)27-8-11-14(20)16(22)18(24)17(23)15(11)21/h4-5,7H,2-3,6,8H2,1H3
InChI Key
VLHQFFHQFQRFIP-UHFFFAOYSA-N
Formula
C18H14ClF5O3
SMILES
Cc1cc(Cl)ccc1OCCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
408.75
Other Names
  • MCPB, PFB ester
Sources

Physical Properties

Property Value Unit Source
Δf -1066.81 kJ/mol Joback Calculated Property
Δfgas -1395.39 kJ/mol Joback Calculated Property
Δfus 51.31 kJ/mol Joback Calculated Property
Δvap 76.71 kJ/mol Joback Calculated Property
logPoct/wat 5.25 Crippen Calculated Property
Pc 1454.57 kPa Joback Calculated Property
Tboil 831.95 K Joback Calculated Property
Tc 1031.66 K Joback Calculated Property
Tfus 560.36 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 709.78 J/mol×K 831.95 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-Cl 1
>C=O (nonring) 1
=CH- (ring) 3
=C< (ring) 9
-CH2- 4
-F 5
-CH3 1

Similar Compounds

(4-Chloro-2-methylphenoxy)acetic acid, pentafluorobenzyl ester. MCPP PFB ester. Succinic acid, 2-chlorophenyl pentafluorobenzyl ester. 2,4,5-TB PFB ester. Succinic acid, 3,5-difluorophenyl pentafluorobenzyl ester. Succinic acid, 2-isopropoxyphenyl pentafluorobenzyl ester. Glutaric acid, 2,4,6-trichlorophenyl pentafluorobenzyl ester. Succinic acid, 2-bromo-4-fluorophenyl pentafluorobenzyl ester. Glutaric acid, 2,3-dichlorophenyl pentafluorobenzyl ester. Glutaric acid, 2-chloro-6-fluorophenyl pentafluorobenzyl ester. CPIB PFB ester. Fumaric acid, pentafluorobenzyl 4-chloro-3-methylphenyl ester. Succinic acid, phenethyl pentafluorobenzyl ester. 2,4-DP, PFB ester. Sebacic acid, dipentafluorobenzyl ester.

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