Chemical Properties of 4-(Trifluoroacetyl)benzoic acid (CAS 58808-59-6)

4-(Trifluoroacetyl)benzoic acid

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InChI
InChI=1S/C9H5F3O3/c10-9(11,12)7(13)5-1-3-6(4-2-5)8(14)15/h1-4H,(H,14,15)
InChI Key
WLTZCRCZDLLXQP-UHFFFAOYSA-N
Formula
C9H5F3O3
SMILES
O=C(O)c1ccc(C(=O)C(F)(F)F)cc1
Molecular Weight1
218.13
CAS
58808-59-6
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Physical Properties

Property Value Unit Source
Δf -848.57 kJ/mol Joback Calculated Property
Δfgas -978.50 kJ/mol Joback Calculated Property
Δfus 21.83 kJ/mol Joback Calculated Property
Δvap 64.99 kJ/mol Joback Calculated Property
log10WS -2.85 Crippen Calculated Property
logPoct/wat 2.130 Crippen Calculated Property
McVol 128.230 ml/mol McGowan Calculated Property
Pc 3611.55 kPa Joback Calculated Property
Tboil 631.48 K Joback Calculated Property
Tc 827.15 K Joback Calculated Property
Tfus 395.00 K Joback Calculated Property
Vc 0.505 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [319.49; 359.47] J/mol×K [631.48; 827.15] Show Hide
Cp,gas 319.49 J/mol×K 631.48 Joback Calculated Property
Cp,gas 327.58 J/mol×K 664.09 Joback Calculated Property
Cp,gas 335.05 J/mol×K 696.70 Joback Calculated Property
Cp,gas 341.94 J/mol×K 729.31 Joback Calculated Property
Cp,gas 348.28 J/mol×K 761.92 Joback Calculated Property
Cp,gas 354.11 J/mol×K 794.53 Joback Calculated Property
Cp,gas 359.47 J/mol×K 827.15 Joback Calculated Property

Similar Compounds

4-Acetylbenzoic acid. Acetophenone, 4-trifluoroacetyl. 4-Trifluoromethyl-«alpha»,«alpha»,«alpha»-trifluoroacetophenone. 4-(Trifluoroacetyl)toluene. Ethanone, 2,2,2-trifluoro-1-phenyl-. Terephthalic acid. Acetophenone, 4'-chloro, 2,2,2-trifluoro. Benzoic acid, 4-formyl-. Benzoic acid, 4-acetyl-, methyl ester. 2,2,2,4'-Tetrafluoroacetophenone. Acetophenone, 2,2,2,4'-tetrafluoro. Benzoic acid, p-tert-butyl-. Benzoic acid, 4-cyano-. Benzoic acid, 4-methyl-. 4-Ethylbenzoic acid.

Find more compounds similar to 4-(Trifluoroacetyl)benzoic acid.

Sources

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