Chemical Properties of MCPP PFB ester

MCPP PFB ester

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InChI
InChI=1S/C17H12ClF5O3/c1-7-5-9(18)3-4-11(7)26-8(2)17(24)25-6-10-12(19)14(21)16(23)15(22)13(10)20/h3-5,8H,6H2,1-2H3
InChI Key
SJFSFUDCTAJWJN-UHFFFAOYSA-N
Formula
C17H12ClF5O3
SMILES
Cc1cc(Cl)ccc1OC(C)C(=O)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
394.72
Other Names
  • Mecoprop, PFB
  • Mecoprop, PFB ester
Sources

Physical Properties

Property Value Unit Source
Δf -1077.67 kJ/mol Joback Calculated Property
Δfgas -1380.03 kJ/mol Joback Calculated Property
Δfus 45.19 kJ/mol Joback Calculated Property
Δvap 74.10 kJ/mol Joback Calculated Property
logPoct/wat 4.85 Crippen Calculated Property
Pc 1577.21 kPa Joback Calculated Property
Tboil 808.63 K Joback Calculated Property
Tc 1010.29 K Joback Calculated Property
Tfus 534.09 K Joback Calculated Property
Vc 0.95 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 655.17 J/mol×K 808.63 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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