Chemical Properties of Pentachlorophenol, O-trifluoroacetyl-

Pentachlorophenol, O-trifluoroacetyl-

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InChI
InChI=1S/C8Cl5F3O2/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16
InChI Key
QACUOWCDCMROJT-UHFFFAOYSA-N
Formula
C8Cl5F3O2
SMILES
O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(F)(F)F
Molecular Weight1
362.35
Sources

Physical Properties

Property Value Unit Source
Δf -794.42 kJ/mol Joback Calculated Property
Δfgas -949.85 kJ/mol Joback Calculated Property
Δfus 34.17 kJ/mol Joback Calculated Property
Δvap 66.32 kJ/mol Joback Calculated Property
logPoct/wat 5.42 Crippen Calculated Property
Pc 2537.93 kPa Joback Calculated Property
Tboil 692.04 K Joback Calculated Property
Tc 917.09 K Joback Calculated Property
Tfus 494.89 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 338.56 J/mol×K 692.04 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 3
=C< (ring) 6
-Cl 5
>C< 1
>C=O (nonring) 1

Similar Compounds

2,3,5-Trichlorophenol, O-trifluoroacetyl-. Pentachlorophenyl acetate. 2,3,4,6-Tetrachlorophenyl acetate. Phenol, 2,3,4,5-tetrachloro-, acetate. Chloroacetic acid, 2,3,4,6-tetrachlorophenyl ester. Phenol, 2,3,4-trichloro-, acetate. Phenol, 2,3,5,6-tetrachloro-, acetate. Phenol, 2,3,6-trichloro-, acetate. Isobutyric acid, 2,3,4,6-tetrachlorophenyl ester. Phenol, 2,4,5-trichloro-, acetate. Isovaleric acid, 2,3,4,6-tetrachlorophenyl ester. Phenol, pentachloro-, trichloroacetate. 4-Bromobutyric acid, 2,3,4,6-tetrachlorophenyl ester. 4-Chlorobutyric acid, 2,3,4,6-tetrachlorophenyl ester. Lauric acid, pentachlorophenyl ester.

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