2,2,2-Trifluoroethyl Butyrate

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Properties Simple | Detailed

Formula C6H9F3O2
IUPAC Name 2,2,2-trifluoroethyl butanoate
Molecular Mass 170.130 g·mol−1
Heat of Formation -1109.3 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 184.8 Å 3
Surface Area 193.39 Å 2
HOMO Energy -11.42 ± 0.55 eV
LUMO Energy 3.58 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,2,2-trifluoroethylbutyrate
  • 2-tfb
  • butanoic acid 2,2,2-trifluoroethyl ester
  • butanoic acid, 2,2,2-trifluoroethyl ester
  • butyric acid 2,2,2-trifluoroethyl ester
  • butyric acid, tfe
  • t169
CAS Number(s)
  • 371-27-7
InChIKey DEXWRCYOMLUJRF-UHFFFAOYSA-N
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