2-Pentanyl Butyrate

Molecule SVG Image

Properties Simple | Detailed

Formula C9H18O2
IUPAC Name [(1r)-1-methylbutyl] butanoate
Molecular Mass 158.238 g·mol−1
Heat of Formation -556.0 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 226.8 Å 3
Surface Area 225.26 Å 2
HOMO Energy -10.62 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-methylbutyl] butanoate
  • [(2r)-pentan-2-yl] butanoate
  • butanoic acid [(1r)-1-methylbutyl] ester
  • butyric acid [(1r)-1-methylbutyl] ester
InChIKey DJOCFLQKCMWABC-MRVPVSSYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O