Chemical Properties of Phenol, 2,3,4,5-tetrachloro-, acetate (CAS 4901-57-9)

Phenol, 2,3,4,5-tetrachloro-, acetate

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InChI
InChI=1S/C8H4Cl4O2/c1-3(13)14-5-2-4(9)6(10)8(12)7(5)11/h2H,1H3
InChI Key
QHRJCQOAJGBWRV-UHFFFAOYSA-N
Formula
C8H4Cl4O2
SMILES
CC(=O)Oc1cc(Cl)c(Cl)c(Cl)c1Cl
Molecular Weight1
273.93
CAS
4901-57-9
Other Names
  • Acetic acid, 2,3,4,5-tetrachlorophenyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -191.27 kJ/mol Joback Calculated Property
Δfgas -325.56 kJ/mol Joback Calculated Property
Δfus 28.54 kJ/mol Joback Calculated Property
Δvap 65.02 kJ/mol Joback Calculated Property
logPoct/wat 4.23 Crippen Calculated Property
Pc 3028.94 kPa Joback Calculated Property
Tboil 655.05 K Joback Calculated Property
Tc 895.37 K Joback Calculated Property
Tfus 448.26 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 294.91 J/mol×K 655.05 Joback Calculated Property
η 0.00 Pa×s 655.05 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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