Chemical Properties of Pentachlorophenyl acetate (CAS 1441-02-7)

Pentachlorophenyl acetate

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InChI
InChI=1S/C8H3Cl5O2/c1-2(14)15-8-6(12)4(10)3(9)5(11)7(8)13/h1H3
InChI Key
RRYATXLRCBOQTJ-UHFFFAOYSA-N
Formula
C8H3Cl5O2
SMILES
CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Molecular Weight1
308.37
CAS
1441-02-7
Other Names
  • 2,3,4,5,6-Pentachlorophenyl acetate
  • CPA
  • Pentachlorophenol, O-acetyl-
  • Phenol, pentachloro-, acetate
  • Rabcon
Sources

Physical Properties

Property Value Unit Source
Δf -212.83 kJ/mol Joback Calculated Property
Δfgas -352.77 kJ/mol Joback Calculated Property
Δfus 32.34 kJ/mol Joback Calculated Property
Δvap 70.07 kJ/mol Joback Calculated Property
logPoct/wat 4.88 Crippen Calculated Property
Pc 2862.74 kPa Joback Calculated Property
Tboil 697.46 K Joback Calculated Property
Tc 941.22 K Joback Calculated Property
Tfus 490.70 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 310.58 J/mol×K 697.46 Joback Calculated Property
η 0.00 Pa×s 697.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 6
-Cl 5
>C=O (nonring) 1
-CH3 1

Similar Compounds

2,3,4,6-Tetrachlorophenyl acetate. Phenol, 2,3,4,5-tetrachloro-, acetate. Phenol, 2,3,4-trichloro-, acetate. Phenol, 2,3,5,6-tetrachloro-, acetate. Chloroacetic acid, 2,3,4,6-tetrachlorophenyl ester. Phenol, 2,3,6-trichloro-, acetate. Phenol, 2,4,5-trichloro-, acetate. Isobutyric acid, 2,3,4,6-tetrachlorophenyl ester. Pentachlorophenol, O-trifluoroacetyl-. Isovaleric acid, 2,3,4,6-tetrachlorophenyl ester. 4-Bromobutyric acid, 2,3,4,6-tetrachlorophenyl ester. 4-Chlorobutyric acid, 2,3,4,6-tetrachlorophenyl ester. Phenol, pentachloro-, trichloroacetate. 1,2,3,4,5-Pentachloro-6-ethoxybenzene. Lauric acid, pentachlorophenyl ester.

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