2-Chloro-3-Methyl-2-Butenal

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Properties Simple | Detailed

Formula C5H7ClO
IUPAC Name 2-chloro-3-methyl-but-2-enal
Molecular Mass 118.561 g·mol−1
Heat of Formation -180.4 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 140.91 Å 3
Surface Area 147.19 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-butenal, 2-chloro-3-methyl-
  • 2-chloro-3,3-dimethylacrolein
  • 2-chloro-3-methylbut-2-enal
CAS Number(s)
  • 7364-09-2
InChIKey CLMLXTRWZUNYOB-UHFFFAOYSA-N
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DOI
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Elements H C O Cl