Chemical Properties of Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester (CAS 372-31-6)

Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester

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InChI
InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChI Key
OCJKUQIPRNZDTK-UHFFFAOYSA-N
Formula
C6H7F3O3
SMILES
CCOC(=O)CC(=O)C(F)(F)F
Molecular Weight1
184.11
CAS
372-31-6
Other Names
  • Ethyl trifluoroacetoacetate
  • Ethyl 4,4,4-trifluoroacetoacetate
  • Ethyl «gamma»,«gamma»,«gamma»-trifluoroacetoacetate
  • 4,4,4-Trifluoroacetoacetic acid ethyl ester
  • Ethyl «omega»,«omega»,«omega»-trifluoroacetoacetate
  • Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester
  • Ethyl (trifluoroacetyl)acetate
  • Acetoacetic acid, 4-trifluoro-, ethyl ester
  • Ethyl 4,4,4-trifluoro-3-oxobutanoate
  • Ethyl 4,4,4-trifluoro-3-oxobutyrate
  • NSC 42739
  • 4,4,4-Trifluoro-3-oxobutanoic acid ethyl ester
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Physical Properties

Property Value Unit Source
Δf -944.79 kJ/mol Joback Calculated Property
Δfgas -1121.63 kJ/mol Joback Calculated Property
Δfus 17.51 kJ/mol Joback Calculated Property
Δvap 41.10 kJ/mol Joback Calculated Property
log10WS -1.14 Crippen Calculated Property
logPoct/wat 1.071 Crippen Calculated Property
McVol 109.720 ml/mol McGowan Calculated Property
Pc 3082.99 kPa Joback Calculated Property
Tboil [402.50; 402.70] K Show Hide
Tboil 402.70 K NIST
Tboil 402.50 ± 0.50 K NIST
Tc 633.71 K Joback Calculated Property
Tfus 283.66 K Joback Calculated Property
Vc 0.445 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [243.19; 290.37] J/mol×K [461.42; 633.71] Show Hide
Cp,gas 243.19 J/mol×K 461.42 Joback Calculated Property
Cp,gas 252.10 J/mol×K 490.14 Joback Calculated Property
Cp,gas 260.58 J/mol×K 518.85 Joback Calculated Property
Cp,gas 268.64 J/mol×K 547.57 Joback Calculated Property
Cp,gas 276.28 J/mol×K 576.28 Joback Calculated Property
Cp,gas 283.52 J/mol×K 605.00 Joback Calculated Property
Cp,gas 290.37 J/mol×K 633.71 Joback Calculated Property

Similar Compounds

Ethyl pentafluoropropanoyl acetate. Ethyl acetoacetate. Pentanedioic acid, 3-oxo-, diethyl ester. Butanoic acid, 4-chloro-3-oxo-, ethyl ester. Butanoic acid, 3-oxo-, propyl ester. Ethyl heptafluorobutanoylacetate. Ethyl propionylacetate. Butanoic acid, 3-oxo-, butyl ester. Diethyl malonate. Pentanoic acid, 4-methyl-3-oxo-, ethyl ester. Butanoic acid, 3-oxo-, 2-propenyl ester. Hexanoic acid, 3-oxo-, ethyl ester. Pentyl acetoacetate. Butanoic acid, 3-oxo-, 2-methylpropyl ester. Butanoic acid, 2-chloro-3-oxo-, ethyl ester.

Find more compounds similar to Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester.

Sources

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