Isobutyl Butyrate

Molecule SVG Image

Properties Simple | Detailed

Formula C8H16O2
IUPAC Name isobutyl butanoate
Molecular Mass 144.211 g·mol−1
Heat of Formation -522.5 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 204.56 Å 3
Surface Area 207.22 Å 2
HOMO Energy -10.70 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-1-propyl butyrate
  • 2-methylpropyl butanoate
  • 2-methylpropyl butyrate
  • butanoic acid isobutyl ester
  • butanoic acid, 2-methylpropyl ester
  • butanoic acid, isobutyl ester
  • butyric acid isobutyl ester
  • butyric acid, isobutyl ester
  • isobutyl butyrate (natural)
  • isobutyl n-butyrate
  • isobutyl-n-butyrate
CAS Number(s)
  • 539-90-2
InChIKey RGFNRWTWDWVHDD-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O