Chemical Properties of 3',5'-Bis(trifluoromethyl)acetophenone (CAS 30071-93-3)

3',5'-Bis(trifluoromethyl)acetophenone

PDF Excel Molecule Calculator
InChI
InChI=1S/C10H6F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,1H3
InChI Key
MCYCSIKSZLARBD-UHFFFAOYSA-N
Formula
C10H6F6O
SMILES
CC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Molecular Weight1
256.14
CAS
30071-93-3
Other Names
  • 3,5-Bis(trifluoromethyl)acetophenone
  • 3,5-di(Trifluoromethyl)acetophenone
  • Ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]-
  • 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-one
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
EA [1.12; 1.15] eV Show Hide
EA 1.15 ± 0.09 eV NIST
EA 1.12 ± 0.09 eV NIST
Δf -1165.63 kJ/mol Joback Calculated Property
Δfgas -1342.88 kJ/mol Joback Calculated Property
Δfus 20.17 kJ/mol Joback Calculated Property
Δvap 40.71 kJ/mol Joback Calculated Property
log10WS -4.34 Crippen Calculated Property
logPoct/wat 3.927 Crippen Calculated Property
McVol 140.190 ml/mol McGowan Calculated Property
Pc 2388.85 kPa Joback Calculated Property
Tboil 507.87 K Joback Calculated Property
Tc 689.32 K Joback Calculated Property
Tfus 312.23 K Joback Calculated Property
Vc 0.580 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [333.05; 390.52] J/mol×K [507.87; 689.32] Show Hide
Cp,gas 333.05 J/mol×K 507.87 Joback Calculated Property
Cp,gas 344.47 J/mol×K 538.11 Joback Calculated Property
Cp,gas 355.10 J/mol×K 568.35 Joback Calculated Property
Cp,gas 364.98 J/mol×K 598.59 Joback Calculated Property
Cp,gas 374.15 J/mol×K 628.83 Joback Calculated Property
Cp,gas 382.65 J/mol×K 659.08 Joback Calculated Property
Cp,gas 390.52 J/mol×K 689.32 Joback Calculated Property

Similar Compounds

3'-(Trifluoromethyl)acetophenone. 1-Propanone, 1-[3,5-bis(trifluoromethyl)phenyl]-. Ethanone, 1,1'-(1,3-phenylene)bis-. 3-Trifluoromethylbenzoylacetonitrile. 3-Trifluoromethyl-«alpha»,«alpha»,«alpha»-trifluoroacetophenone. 3,5-(CH3)=C6H3-COCH3. m-Trifluoromethylpropiophenone. 4-Fluoro-3-(trifluoromethyl)acetophenone. Acetophenone, 3-trifluoroacetyl. 3-Acetylbenzonitrile. 4'-(Trifluoromethyl)acetophenone. 2'-(Trifluoromethyl)acetophenone. 3-Fluoro-5-(trifluoromethyl)propiophenone. Ethanone, 1-(3-methylphenyl)-. Acetophenone-«alpha»,«alpha»,«alpha»-d3.

Find more compounds similar to 3',5'-Bis(trifluoromethyl)acetophenone.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.