Chemical Properties of 1-Bromo-3,3,3-trifluoroacetone (CAS 431-35-6)

1-Bromo-3,3,3-trifluoroacetone

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InChI
InChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
InChI Key
ONZQYZKCUHFORE-UHFFFAOYSA-N
Formula
C3H2BrF3O
SMILES
O=C(CBr)C(F)(F)F
Molecular Weight1
190.95
CAS
431-35-6
Other Names
  • 3-Bromo-1,1,1-trifluoropropanone
  • 3-Bromo-1,1,1-trifluoro-2-propanone
  • 2-Propanone, 3-bromo-1,1,1-trifluoro-
  • 3-Bromo-1,1,1-trifluoroacetone
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Physical Properties

Property Value Unit Source
Δf -721.81 kJ/mol Joback Calculated Property
Δfgas -788.58 kJ/mol Joback Calculated Property
Δfus 12.24 kJ/mol Joback Calculated Property
Δvap 31.71 kJ/mol Joback Calculated Property
IE 10.92 ± 0.02 eV NIST
log10WS -1.45 Crippen Calculated Property
logPoct/wat 1.513 Crippen Calculated Property
McVol 77.510 ml/mol McGowan Calculated Property
Pc 4504.30 kPa Joback Calculated Property
Tboil 359.00 ± 1.00 K NIST
Tc 564.21 K Joback Calculated Property
Tfus 237.49 K Joback Calculated Property
Vc 0.315 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [132.87; 162.49] J/mol×K [382.65; 564.21] Show Hide
Cp,gas 132.87 J/mol×K 382.65 Joback Calculated Property
Cp,gas 138.83 J/mol×K 412.91 Joback Calculated Property
Cp,gas 144.36 J/mol×K 443.17 Joback Calculated Property
Cp,gas 149.46 J/mol×K 473.43 Joback Calculated Property
Cp,gas 154.17 J/mol×K 503.69 Joback Calculated Property
Cp,gas 158.51 J/mol×K 533.95 Joback Calculated Property
Cp,gas 162.49 J/mol×K 564.21 Joback Calculated Property

Similar Compounds

2-Propanone, 1,1,1-trifluoro-. 2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-. 2-Propanone, 1,1,1,3,3-pentafluoro-. Bromoacetone. 2-Propanone, 1,3-difluoro-. 2,4-Pentanedione, 1,1,1-trifluoro-. Propane, 3-bromo-1-chloro-1,1-difluoro-. 2-Propanone, 1,1,1,3,3,3-hexafluoro-. 1,1,1,5,5,6,6,6-Octafluoro-2,4-hexanedione. 2-Propanone, 1-fluoro-. Bromoacetyl bromide. 1,1,1,2,2-Pentafluoropropane. Bromoacetyl chloride. 1H,1H-Pentafluoropropyl iodide. Propanone, pentabromo-.

Find more compounds similar to 1-Bromo-3,3,3-trifluoroacetone.

Sources

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