Butyl 3-Methylbutanoate

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Properties Simple | Detailed

Formula C9H18O2
IUPAC Name butyl 3-methylbutanoate
Molecular Mass 158.238 g·mol−1
Heat of Formation -543.9 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 225.17 Å 3
Surface Area 226.6 Å 2
HOMO Energy -10.68 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butyl isovalerate
  • 3-methylbutanoic acid butyl ester
  • 3-methylbutyric acid butyl ester
  • butanoic acid, 3-methyl-, butyl ester
  • butyl 3-methylbutyrate
  • butyl isopentanoate
  • butyl isovalerate
  • butyl isovalerate (natural)
  • butyl isovalerianate
  • n-butyl 3-methylbutanoate
  • n-butyl isovalerate
CAS Number(s)
  • 109-19-3
InChIKey AYWJSCLAAPJZEF-UHFFFAOYSA-N
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Elements H C O