Propyl Isopentanoate

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Properties Simple | Detailed

Formula C8H16O2
IUPAC Name propyl 3-methylbutanoate
Molecular Mass 144.211 g·mol−1
Heat of Formation -523.3 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 202.59 Å 3
Surface Area 206.07 Å 2
HOMO Energy -10.70 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutanoic acid propyl ester
  • 3-methylbutyric acid propyl ester
  • butanoic acid, 3-methyl-, propyl ester
  • butanoic acid, 3-methyl-, propyl ester (9ci)
  • isovaleric acid, propyl ester
  • propyl 3-methylbutyrate
  • propyl isovalerate
  • propyl isovalerate (natural)
  • propyl isovalerianate
CAS Number(s)
  • 557-00-6
InChIKey LSJMDWFAADPNAX-UHFFFAOYSA-N
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Elements H C O