Chemical Properties of Trifluoroacetic acid (CAS 76-05-1)

Trifluoroacetic acid

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InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChI Key
DTQVDTLACAAQTR-UHFFFAOYSA-N
Formula
C2HF3O2
SMILES
O=C(O)C(F)(F)F
Molecular Weight1
114.02
CAS
76-05-1
Other Names
  • Acetic acid, 2,2,2-trifluoro-
  • CF3COOH
  • Kyselina trifluoroctova
  • NSC 77366
  • Perfluoroacetic acid
  • Trifluoracetic acid
  • UN 2699
  • acetic acid, trifluoro-
  • trifluoroethanoic acid
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Physical Properties

Property Value Unit Source
PAff 711.70 kJ/mol NIST
BasG 680.70 kJ/mol NIST
Δcliquid -397.20 ± 1.50 kJ/mol NIST
Δf -881.37 kJ/mol Joback Calculated Property
Δfgas [-1031.40; -1018.00] kJ/mol Show Hide
Δfgas -1018.00 ± 4.60 kJ/mol NIST
Δfgas -1031.40 ± 1.70 kJ/mol NIST
Δfliquid -1069.90 ± 1.50 kJ/mol NIST
Δfus 8.45 kJ/mol Joback Calculated Property
Δvap 41.00 ± 3.00 kJ/mol NIST
IE [11.46; 12.08] eV Show Hide
IE 11.50 eV NIST
IE 11.60 eV NIST
IE 11.46 eV NIST
IE 12.00 eV NIST
IE 12.06 eV NIST
IE 12.08 ± 0.05 eV NIST
IE 12.00 eV NIST
IE 12.00 ± 0.03 eV NIST
log10WS -0.42 Crippen Calculated Property
logPoct/wat 0.633 Crippen Calculated Property
McVol 51.790 ml/mol McGowan Calculated Property
Pc 5320.16 kPa Joback Calculated Property
Inp [730.00; 744.00]   Show Hide
Inp 744.00 NIST
Inp 730.00 NIST
Inp 744.00 NIST
Tboil [344.91; 347.00] K Show Hide
Tboil 344.91 K Isobari...
Tboil 347.00 K NIST
Tboil 347.00 K NIST
Tboil 345.60 K NIST
Tboil 345.10 ± 0.20 K NIST
Tboil 345.70 ± 1.00 K NIST
Tc 545.18 K Joback Calculated Property
Tfus [288.43; 531.17] K Show Hide
Tfus 531.17 ± 0.20 K NIST
Tfus 288.43 ± 0.20 K NIST
Vc 0.215 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [105.37; 126.44] J/mol×K [385.79; 545.18] Show Hide
Cp,gas 105.37 J/mol×K 385.79 Joback Calculated Property
Cp,gas 109.52 J/mol×K 412.35 Joback Calculated Property
Cp,gas 113.39 J/mol×K 438.92 Joback Calculated Property
Cp,gas 117.02 J/mol×K 465.48 Joback Calculated Property
Cp,gas 120.39 J/mol×K 492.05 Joback Calculated Property
Cp,gas 123.53 J/mol×K 518.61 Joback Calculated Property
Cp,gas 126.44 J/mol×K 545.18 Joback Calculated Property
ΔvapH 35.90 kJ/mol 315.00 NIST

Similar Compounds

CF3CO2 anion. sodium trifluoroacetate. Difluoroacetic acid. Acetic acid, chlorodifluoro-. C2HF3OS. Acetic acid, trifluoro-, anhydride. Fluoroacetic acid. Ethanal, trifluoro. Dibromofluoroacetic acid. Methyl trifluoroacetate. Silyl trifluoroacetate. Pentafluoropropionic acid. Ethanol, 2,2,2-trifluoro-. 2-Propanone, 1,1,1,3,3,3-hexafluoro-. Oxalic acid.

Find more compounds similar to Trifluoroacetic acid.

Mixtures

Sources

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