Chemical Properties of Ethanone, 2,2,2-trifluoro-1-phenyl- (CAS 434-45-7)

Ethanone, 2,2,2-trifluoro-1-phenyl-

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InChI
InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
InChI Key
KZJRKRQSDZGHEC-UHFFFAOYSA-N
Formula
C8H5F3O
SMILES
O=C(c1ccccc1)C(F)(F)F
Molecular Weight1
174.12
CAS
434-45-7
Other Names
  • (Trifluoroacetyl)benzene
  • 1,1,1-Trifluoroacetophenone
  • 2,2,2-Trifluoro-1-phenylethanone
  • 2,2,2-Trifluoroacetophenone
  • Acetophenone, 2,2,2-trifluoro-
  • NSC 42752
  • Phenyl trifluoromethyl ketone
  • Trifluoroacetophenone
  • Trifluoromethyl phenyl ketone
  • alpha,alpha,alpha-Trifluoroacetophenone
  • «alpha»,«alpha»,«alpha»-Trifluoroacetophenone
  • «omega»,«omega»,«omega»-Trifluoroacetophenone
  • «alpha»,«alpha»,«alpha»-Trifluoroacetophenone
  • «omega»,«omega»,«omega»-Trifluoroacetophenone
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Physical Properties

Property Value Unit Source
PAff 799.20 kJ/mol NIST
BasG 767.40 kJ/mol NIST
EA 0.98 ± 0.09 eV NIST
Δf -581.62 kJ/mol Joback Calculated Property
Δfgas -681.58 kJ/mol Joback Calculated Property
Δfus 13.94 kJ/mol Joback Calculated Property
Δvap 38.68 kJ/mol Joback Calculated Property
IE [9.72; 10.25] eV Show Hide
IE 9.72 eV NIST
IE 10.25 eV NIST
IE 10.25 eV NIST
log10WS -1.16 Aq. Sol...
logPoct/wat 2.432 Crippen Calculated Property
McVol 106.700 ml/mol McGowan Calculated Property
Pc 3427.87 kPa Joback Calculated Property
Inp 866.00 NIST
Tboil [438.50; 438.70] K Show Hide
Tboil 438.70 K NIST
Tboil 438.50 ± 0.50 K NIST
Tc 658.50 K Joback Calculated Property
Tfus 233.00 ± 6.00 K NIST
Vc 0.424 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [220.31; 275.96] J/mol×K [457.57; 658.50] Show Hide
Cp,gas 220.31 J/mol×K 457.57 Joback Calculated Property
Cp,gas 231.49 J/mol×K 491.06 Joback Calculated Property
Cp,gas 241.86 J/mol×K 524.55 Joback Calculated Property
Cp,gas 251.45 J/mol×K 558.04 Joback Calculated Property
Cp,gas 260.30 J/mol×K 591.52 Joback Calculated Property
Cp,gas 268.45 J/mol×K 625.01 Joback Calculated Property
Cp,gas 275.96 J/mol×K 658.50 Joback Calculated Property
ΔvapH 43.10 kJ/mol 383.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 425.20 K 97.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [314.23; 451.91] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.67771e+01
Coefficient B-5.18144e+03
Temperature range, min.314.23
Temperature range, max.451.91
Pvap 1.33 kPa 314.23 Calculated Property
Pvap 2.87 kPa 329.53 Calculated Property
Pvap 5.76 kPa 344.83 Calculated Property
Pvap 10.90 kPa 360.12 Calculated Property
Pvap 19.60 kPa 375.42 Calculated Property
Pvap 33.64 kPa 390.72 Calculated Property
Pvap 55.45 kPa 406.02 Calculated Property
Pvap 88.13 kPa 421.31 Calculated Property
Pvap 135.60 kPa 436.61 Calculated Property
Pvap 202.64 kPa 451.91 Calculated Property

Similar Compounds

Acetophenone, 2,2-difluoro. Acetophenone, 4'-chloro, 2,2,2-trifluoro. Acetophenone, 3'-bromo, 2,2,2-trifluoro. 4-(Trifluoroacetyl)toluene. Acetophenone, 4-trifluoroacetyl. 4-Trifluoromethyl-«alpha»,«alpha»,«alpha»-trifluoroacetophenone. Acetophenone, 2,2,2,4'-tetrafluoro. 2,2,2,4'-Tetrafluoroacetophenone. Acetophenone, 3-trifluoroacetyl. Benzene, 1-chloro-3-trifluoroacetyl. Benzeneacetonitrile, «alpha»-oxo-. Acetophenone, 2,2,2,3'-tetrafluoro-. Benzene, pentafluoropropionyl. 3-Trifluoromethyl-«alpha»,«alpha»,«alpha»-trifluoroacetophenone. 4-(Trifluoroacetyl)benzoic acid.

Find more compounds similar to Ethanone, 2,2,2-trifluoro-1-phenyl-.

Sources

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