Chemical Properties of 3,5-Bis(trifluoromethyl)benzoic acid (CAS 725-89-3)

3,5-Bis(trifluoromethyl)benzoic acid

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InChI
InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)
InChI Key
HVFQJWGYVXKLTE-UHFFFAOYSA-N
Formula
C9H4F6O2
SMILES
O=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Molecular Weight1
258.12
CAS
725-89-3
Other Names
  • 3,5-di(Trifluoromethyl)benzoic acid
  • Bis(3,5-trifluoromethyl)benzoic acid
  • Benzoic acid, 3,5-bis(trifluoromethyl)-
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Physical Properties

Property Value Unit Source
Δf -1310.87 kJ/mol Joback Calculated Property
Δfgas -1474.47 kJ/mol Joback Calculated Property
Δfus 21.67 kJ/mol Joback Calculated Property
Δvap 55.16 kJ/mol Joback Calculated Property
log10WS -3.74 Crippen Calculated Property
logPoct/wat 3.422 Crippen Calculated Property
McVol 131.970 ml/mol McGowan Calculated Property
Pc 2896.73 kPa Joback Calculated Property
Tboil 577.17 K Joback Calculated Property
Tc 752.38 K Joback Calculated Property
Tfus 361.78 K Joback Calculated Property
Vc 0.542 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [336.63; 378.09] J/mol×K [577.17; 752.38] Show Hide
Cp,gas 336.63 J/mol×K 577.17 Joback Calculated Property
Cp,gas 344.96 J/mol×K 606.37 Joback Calculated Property
Cp,gas 352.67 J/mol×K 635.57 Joback Calculated Property
Cp,gas 359.80 J/mol×K 664.78 Joback Calculated Property
Cp,gas 366.39 J/mol×K 693.98 Joback Calculated Property
Cp,gas 372.47 J/mol×K 723.18 Joback Calculated Property
Cp,gas 378.09 J/mol×K 752.38 Joback Calculated Property

Similar Compounds

3-(Trifluoromethyl)benzoic acid. 3-Fluoro-5-(trifluoromethyl)benzoic acid. methyl 3,5-diCF3-benzoate radical. 1,3,5-Benzenetricarboxylic acid. Methyl 3-trifluoromethylbenzoate. Isophthalic acid. 4-Fluoro-3-(trifluomethyl)benzoic acid. Benzoic acid, 3,5-dimethyl-. 3,5-Bis(trifluoromethyl)benzyl alcohol. «alpha»,«alpha»,«alpha»-trifluoro-p-toluic acid. Benzoic acid, 3-cyano-. 2,4-di(Trifluoromethyl)benzoic acid. 2-Fluoro-3-(trifluoromethyl)benzoic acid. «alpha»,«alpha»,«alpha»-Trifluoro-o-toluic acid. 3,5-Bis(trifluoromethyl)benzaldehyde.

Find more compounds similar to 3,5-Bis(trifluoromethyl)benzoic acid.

Sources

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