Chemical Properties of Phenol, 2,3,6-trichloro-, acetate (CAS 61925-87-9)

Phenol, 2,3,6-trichloro-, acetate

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InChI
InChI=1S/C8H5Cl3O2/c1-4(12)13-8-6(10)3-2-5(9)7(8)11/h2-3H,1H3
InChI Key
NIXCFOKFBOFURO-UHFFFAOYSA-N
Formula
C8H5Cl3O2
SMILES
CC(=O)Oc1c(Cl)ccc(Cl)c1Cl
Molecular Weight1
239.48
CAS
61925-87-9
Other Names
  • Acetic acid, 2,3,6-trichlorophenyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -169.71 kJ/mol Joback Calculated Property
Δfgas -298.35 kJ/mol Joback Calculated Property
Δfus 24.73 kJ/mol Joback Calculated Property
Δvap 59.98 kJ/mol Joback Calculated Property
logPoct/wat 3.57 Crippen Calculated Property
Pc 3210.04 kPa Joback Calculated Property
Tboil 612.64 K Joback Calculated Property
Tc 848.96 K Joback Calculated Property
Tfus 405.82 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 277.62 J/mol×K 612.64 Joback Calculated Property
η 0.00 Pa×s 612.64 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Phenol, 2,3,5,6-tetrachloro-, acetate. 2,3,4,6-Tetrachlorophenyl acetate. Pentachlorophenyl acetate. Phenol, 2,3,4,5-tetrachloro-, acetate. Phenol, 2,3-dichloro-, acetate. Phenol, 2,4,5-trichloro-, acetate. Phenol, 2,3,4-trichloro-, acetate. Chloroacetic acid, 2,3,4,6-tetrachlorophenyl ester. 2,3,5-Trichlorophenol, O-trifluoroacetyl-. Adipic acid, di(2,3,6-trichlorophenyl) ester. Succinic acid, di(2,3,5,6-tetrachlorophenyl) ester. Fumaric acid, di(2,3,6-trichlorophenyl) ester. Isobutyric acid, 2,3,4,6-tetrachlorophenyl ester. Phenol, 2,5-dichloro-, acetate. 2-Ethylbutyric acid, 2,3,6-trichlorophenyl ester.

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