2,2,3,4,4-Pentachloro-3-Butenoic Acid

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Properties Simple | Detailed

Formula C4HCl5O2
IUPAC Name 2,2,3,4,4-pentachlorobut-3-enoic acid
Molecular Mass 258.315 g·mol−1
Heat of Formation -452.3 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 216.64 Å 3
Surface Area 196.95 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy 1.53 ± eV
Point Group Symmetry C1
Synonyms
  • 3-butanoic acid, 2,2,3,4,4-pentachloro-
  • 3-butenoic acid, 2,2,3,4,4-pentachloro-
  • 3-butenoic acid, pentachloro-
  • pentachloro-3-butenoic acid
CAS Number(s)
  • 85743-61-9
InChIKey CKGWGTNKIWPBKE-UHFFFAOYSA-N
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Elements H C O Cl