Methyl Heptafluorobutanoate

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Properties Simple | Detailed

Formula C5H3F7O2
IUPAC Name methyl 2,2,3,3,4,4,4-heptafluorobutanoate
Molecular Mass 228.065 g·mol−1
Heat of Formation -1818.8 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 194.37 Å 3
Surface Area 183.79 Å 2
HOMO Energy -11.81 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2,3,3,4,4,4-heptafluorobutanoic acid methyl ester
  • 2,2,3,3,4,4,4-heptafluorobutyric acid methyl ester
  • butanoic acid, heptafluoro-, methyl ester
  • butyric acid, heptafluoro-, methyl ester
  • heptafluorobutyryl methyl ester
  • methyl heptafluorobutyrate
  • methyl perfluorobutyrate
CAS Number(s)
  • 356-24-1
InChIKey MRPUVAKBXDBGJQ-UHFFFAOYSA-N
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