Chemical Properties of 2,4-Pentanedione, 1,1,1-trifluoro- (CAS 367-57-7)

2,4-Pentanedione, 1,1,1-trifluoro-

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InChI
InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3
InChI Key
SHXHPUAKLCCLDV-UHFFFAOYSA-N
Formula
C5H5F3O2
SMILES
CC(=O)CC(=O)C(F)(F)F
Molecular Weight1
154.09
CAS
367-57-7
Other Names
  • (Trifluoroacetyl)acetone
  • 1,1,1-Trifluoro-2,4-pentanedione
  • 1,1,1-Trifluoroacetylacetone
  • CF3COH=CHCOCH3
  • 1,1,1-Trifluoro-2,4-pentadione
  • Acetyl trifluoroacetone
  • 1,1,1-trifluoropentane-2,4-dione
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Physical Properties

Property Value Unit Source
Δcliquid -2179.90 ± 2.60 kJ/mol NIST
Δf -848.21 kJ/mol Joback Calculated Property
Δfgas [-1003.30; -993.30] kJ/mol Show Hide
Δfgas -1003.30 ± 3.30 kJ/mol NIST
Δfgas -993.30 ± 3.40 kJ/mol NIST
Δfliquid -1040.20 ± 3.30 kJ/mol NIST
Δfus 13.73 kJ/mol Joback Calculated Property
Δvap [37.20; 37.27] kJ/mol Show Hide
Δvap 37.27 kJ/mol NIST
Δvap 37.20 ± 0.20 kJ/mol NIST
IE [9.47; 9.92] eV Show Hide
IE 9.47 eV NIST
IE 9.50 eV NIST
IE 9.80 ± 0.10 eV NIST
IE 9.92 ± 0.07 eV NIST
log10WS -1.14 Crippen Calculated Property
logPoct/wat 1.097 Crippen Calculated Property
McVol 89.760 ml/mol McGowan Calculated Property
Pc 3509.58 kPa Joback Calculated Property
Tboil [379.20; 380.20] K Show Hide
Tboil 379.20 K NIST
Tboil 380.00 K NIST
Tboil 380.00 K NIST
Tboil 380.20 K NIST
Tc 589.75 K Joback Calculated Property
Tfus 250.16 K Joback Calculated Property
Vc 0.370 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [183.68; 225.50] J/mol×K [416.12; 589.75] Show Hide
Cp,gas 183.68 J/mol×K 416.12 Joback Calculated Property
Cp,gas 191.74 J/mol×K 445.06 Joback Calculated Property
Cp,gas 199.34 J/mol×K 474.00 Joback Calculated Property
Cp,gas 206.49 J/mol×K 502.94 Joback Calculated Property
Cp,gas 213.23 J/mol×K 531.88 Joback Calculated Property
Cp,gas 219.56 J/mol×K 560.81 Joback Calculated Property
Cp,gas 225.50 J/mol×K 589.75 Joback Calculated Property
ΔvapH 31.21 kJ/mol 380.20 NIST

Similar Compounds

1-Chloro-1,1-difluoroacetylacetone. 2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-. Acetylacetone. 2,4-Hexanedione, 1,1,1-trifluoro-5,5-dimethyl-. 1,1,1,5,5,6,6,6-Octafluoro-2,4-hexanedione. 2,4-Hexanedione. 2-Pentanone. 3-Chloro-2,4-pentanedione. 2,4-Heptanedione. 2-Pentanone, 4,4-dimethyl-. 1,2,4-Cyclopentanetrione. 2,4-Pentanedione, 3-acetyl-. 3,5-Heptanedione. 1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione. Heptacosane-2,4-dione.

Find more compounds similar to 2,4-Pentanedione, 1,1,1-trifluoro-.

Sources

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