Methyl 3-Methylbutanoate

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Properties Simple | Detailed

Formula C6H12O2
IUPAC Name methyl 3-methylbutanoate
Molecular Mass 116.158 g·mol−1
Heat of Formation -469.4 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 160.27 Å 3
Surface Area 165.93 Å 2
HOMO Energy -10.77 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutanoic acid methyl ester
  • 3-methylbutyric acid methyl ester
  • butanoic acid, 3-methyl-, methyl ester
  • isovaleric acid, methyl ester
  • methyl (3-methyl)butanoate
  • methyl 3-methylbutyrate
  • methyl isopentanoate
  • methyl isovalerate
  • methyl isovalerate (natural)
  • methyl isovalerate [un2400] [flammable liquid]
  • methyl isovalerianate
CAS Number(s)
  • 556-24-1
InChIKey OQAGVSWESNCJJT-UHFFFAOYSA-N
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Elements H C O