Chemical Properties of «alpha»,«alpha»,«alpha»-trifluoro-o-toluoyl chloride (CAS 312-94-7)

«alpha»,«alpha»,«alpha»-trifluoro-o-toluoyl chloride

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InChI
InChI=1S/C8H4ClF3O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H
InChI Key
MXIUWSYTQJLIKE-UHFFFAOYSA-N
Formula
C8H4ClF3O
SMILES
O=C(Cl)c1ccccc1C(F)(F)F
Molecular Weight1
208.56
CAS
312-94-7
Other Names
  • 2-(Trifluoromethyl)benzoyl chloride
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Physical Properties

Property Value Unit Source
Δf -603.18 kJ/mol Joback Calculated Property
Δfgas -708.79 kJ/mol Joback Calculated Property
Δfus 17.75 kJ/mol Joback Calculated Property
Δvap 43.72 kJ/mol Joback Calculated Property
log10WS -3.46 Crippen Calculated Property
logPoct/wat 3.084 Crippen Calculated Property
McVol 118.940 ml/mol McGowan Calculated Property
Pc 3228.31 kPa Joback Calculated Property
Tboil 499.98 K Joback Calculated Property
Tc 708.00 K Joback Calculated Property
Tfus 302.90 K Joback Calculated Property
Vc 0.473 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [244.85; 293.57] J/mol×K [499.98; 708.00] Show Hide
Cp,gas 244.85 J/mol×K 499.98 Joback Calculated Property
Cp,gas 254.75 J/mol×K 534.65 Joback Calculated Property
Cp,gas 263.88 J/mol×K 569.32 Joback Calculated Property
Cp,gas 272.28 J/mol×K 603.99 Joback Calculated Property
Cp,gas 280.00 J/mol×K 638.66 Joback Calculated Property
Cp,gas 287.08 J/mol×K 673.33 Joback Calculated Property
Cp,gas 293.57 J/mol×K 708.00 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 363.00 K 2.10 NIST

Similar Compounds

4-Fluoro-2-(trifluoromethyl)benzoyl chloride. 3-(Trifluoromethyl)benzoyl chloride. 2-Fluoro-6-(trifluoromethyl)benzoyl chloride. Benzaldehyde, 2-(trifluoromethyl)-. 1,2-Benzenedicarbonyl dichloride. «alpha»,«alpha»,«alpha»-Trifluoro-o-toluic acid. Benzoyl chloride, 2-methyl-. 2'-(Trifluoromethyl)acetophenone. o-(trifluoromethyl)benzamide. 4-(Trifluoromethyl)benzoyl chloride. 2-(Trifluoromethyl)benzophenone. 2,6-Bis(trifluoromethyl)benzoic acid. 2,4-di(Trifluoromethyl)benzoic acid. 4-Fluoro-2-(trifluoromethyl)benzaldehyde. 4-Fluoro-3-(trifluoromethyl)benzoyl chloride.

Find more compounds similar to «alpha»,«alpha»,«alpha»-trifluoro-o-toluoyl chloride.

Sources

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