Chemical Properties of 2',3',4',5',6'-Pentafluoroacetophenone (CAS 652-29-9)

2',3',4',5',6'-Pentafluoroacetophenone

PDF Excel Molecule Calculator
InChI
InChI=1S/C8H3F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3
InChI Key
FBGHCYZBCMDEOX-UHFFFAOYSA-N
Formula
C8H3F5O
SMILES
CC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
210.10
CAS
652-29-9
Other Names
  • 2,3,4,5,6-Pentafluoroacetophenone
  • Pentafluoroacetophenone
  • Ethanone, 1-(pentafluorophenyl)-
  • Acetophenone, 2',3',4',5',6'-pentafluoro-
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 0.88 ± 0.11 eV NIST
Δf -1022.23 kJ/mol Joback Calculated Property
Δfgas -1122.40 kJ/mol Joback Calculated Property
Δfus 25.57 kJ/mol Joback Calculated Property
Δvap 41.65 kJ/mol Joback Calculated Property
IE [10.26; 11.25] eV Show Hide
IE 11.25 eV NIST
IE 10.26 eV NIST
log10WS -3.79 Crippen Calculated Property
logPoct/wat 2.585 Crippen Calculated Property
McVol 110.240 ml/mol McGowan Calculated Property
Pc 2793.56 kPa Joback Calculated Property
Tboil 403.50 ± 0.50 K NIST
Tc 660.42 K Joback Calculated Property
Tfus 321.82 K Joback Calculated Property
Vc 0.471 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [234.06; 274.04] J/mol×K [484.24; 660.42] Show Hide
Cp,gas 234.06 J/mol×K 484.24 Joback Calculated Property
Cp,gas 241.43 J/mol×K 513.60 Joback Calculated Property
Cp,gas 248.52 J/mol×K 542.97 Joback Calculated Property
Cp,gas 255.32 J/mol×K 572.33 Joback Calculated Property
Cp,gas 261.84 J/mol×K 601.70 Joback Calculated Property
Cp,gas 268.08 J/mol×K 631.06 Joback Calculated Property
Cp,gas 274.04 J/mol×K 660.42 Joback Calculated Property

Similar Compounds

2,3,6-Trifluoroacetophenone. 2,3-Difluoroacetophenone. Ethanone, 1-(2,6-difluorophenyl)-. 2',5'-Difluoroacetophenone. Pentafluorobenzoyl chloride. Pentafluorobenzaldehyde. Ethanone, 1-(2,4-difluorophenyl)-. 3,5-Difluoroacetophenone. Benzene, pentafluoro-2-propenyl-. Benzoic acid, pentafluoro-. 3',4'-Difluoroacetophenone. Benzamide, 2,3,4,5,6-pentafluoro-. 2,3,4,5,6-Pentafluorophenylacetonitrile. 2,3,4,5,6-Pentafluorophenylacetic acid. Methyl pentafluorobenzoate.

Find more compounds similar to 2',3',4',5',6'-Pentafluoroacetophenone.

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.