Methyl Isocaproate

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Properties Simple | Detailed

Formula C7H14O2
IUPAC Name methyl 4-methylpentanoate
Molecular Mass 130.185 g·mol−1
Heat of Formation -489.1 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 181.95 Å 3
Surface Area 185.98 Å 2
HOMO Energy -10.79 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methylpentanoic acid methyl ester
  • 4-methylvaleric acid methyl ester
  • methyl 4-methylvalerate
  • methyl isobutylacetate
  • methyl isohexanoate
  • pentanoic acid, 4-methyl-, methyl ester
  • valeric acid, 4-methyl-, methyl ester
CAS Number(s)
  • 2412-80-8
InChIKey KBCOVKHULBZKNY-UHFFFAOYSA-N
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Elements H C O