Chemical Properties of 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide (CAS 1939-29-3)

2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide

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InChI
InChI=1S/C9H5Cl3F3NO/c10-8(11,12)7(17)16-6-3-1-2-5(4-6)9(13,14)15/h1-4H,(H,16,17)
InChI Key
KQIOOEOHDXWXQY-UHFFFAOYSA-N
Formula
C9H5Cl3F3NO
SMILES
O=C(Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl
Molecular Weight1
306.50
CAS
1939-29-3
Other Names
  • 3'-Trifluoromethyl-2,2,2-trichloroacetanilide
Sources

Physical Properties

Property Value Unit Source
Δf -526.39 kJ/mol Joback Calculated Property
Δfgas -716.19 kJ/mol Joback Calculated Property
Δfus 26.42 kJ/mol Joback Calculated Property
Δvap 59.86 kJ/mol Joback Calculated Property
logPoct/wat 4.01 Crippen Calculated Property
Pc 2775.92 kPa Joback Calculated Property
Tboil 644.66 K Joback Calculated Property
Tc 870.03 K Joback Calculated Property
Tfus 429.09 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 379.62 J/mol×K 644.66 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Acetamide, N-[3-(trifluoromethyl)phenyl]-. Acetamide, 2,2,2-trichloro-n-(3-methylphenyl)-. 3'-Trifluoromethylpropionanilide. Acetamide, n-(3-methylphenyl)-2,2-dichloro-. .ALPHA.,.alpha.,.alpha.-trifluoro-m-formotoluidide. 3'-Trifluoromethyl-2-phenylacetanilide. Acetamide, n-(3-methylphenyl)-2-chloro-. 3'-Trifluoromethylcyclopentanecarboxanilide. N,N'-Di-(m-trifluoromethylphenyl)urea. Piperazine, 1-[3-(trifluoromethyl)phenyl]-. Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]-. 3-CF3C6H4N(CH3)2. Methyl n-(3-trifluoromethylphenyl)carbamate. Dichloroacetamide, n-ethyl-n-(3-methylphenyl)-. P-trifluoromethylacetanilide.

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