Isopropyl Butyrate

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Properties Simple | Detailed

Formula C7H14O2
IUPAC Name isopropyl butanoate
Molecular Mass 130.185 g·mol−1
Heat of Formation -514.0 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 181.6 Å 3
Surface Area 187.62 Å 2
HOMO Energy -10.66 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methylethyl butanoate
  • butanoic acid isopropyl ester
  • butanoic acid, 1-methylethyl ester
  • butanoic acid, 2-methylethyl ester
  • butyric acid isopropyl ester
  • butyric acid, isopropyl ester
  • isopropyl butyrate [un2405] [flammable liquid]
  • propan-2-yl butanoate
CAS Number(s)
  • 638-11-9
InChIKey FFOPEPMHKILNIT-UHFFFAOYSA-N
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