2-Butylacrolein

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Properties Simple | Detailed

Formula C7H12O
IUPAC Name 2-methylenehexanal
Molecular Mass 112.170 g·mol−1
Heat of Formation -163.2 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 166.14 Å 3
Surface Area 172.48 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylidenehexanal
  • 2-n-butylacrolein
  • hexanal, 2-methylene-
CAS Number(s)
  • 1070-66-2
InChIKey IWEWQGKFUYQGSN-UHFFFAOYSA-N
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Elements H C O