3-Methylbutyl 2-Cyanoacrylate

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Properties Simple | Detailed

Formula C9H13NO2
IUPAC Name isopentyl 2-cyanoprop-2-enoate
Molecular Mass 167.205 g·mol−1
Heat of Formation -249.8 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 224.42 Å 3
Surface Area 221.33 Å 2
HOMO Energy -11.15 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-cyanoacrylic acid isoamyl ester
  • 2-cyanoprop-2-enoic acid isopentyl ester
  • 2-propenoic acid, 2-cyano-, 3-methylbutyl ester
  • 3-methylbutyl 2-cyanoprop-2-enoate
  • acrylic acid, 2-cyano-, isopentyl ester
  • isoamyl 2-cyanoacrylate
CAS Number(s)
  • 19475-26-4
InChIKey GASDVTHQNCFANM-UHFFFAOYSA-N
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