3-Methylbutyl Hexanoate

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Properties Simple | Detailed

Formula C11H22O2
IUPAC Name isopentyl hexanoate
Molecular Mass 186.291 g·mol−1
Heat of Formation -585.4 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 268.53 Å 3
Surface Area 266.98 Å 2
HOMO Energy -10.68 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • hexanoic acid isoamyl ester
  • hexanoic acid isopentyl ester
  • hexanoic acid, 3-methylbutyl ester
  • hexanoic acid, isopentyl ester
  • isoamyl caproate
  • isoamyl hexanoate
  • isoamyl hexanoate (natural)
  • isopentyl alcohol, hexanoate
  • isopentyl caproate
  • isopentyl-n-hexanoate
CAS Number(s)
  • 2198-61-0
InChIKey XVSZRAWFCDHCBP-UHFFFAOYSA-N
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Elements H C O