Isobutyl 3,3-Dimethylbutanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C10H20O2
IUPAC Name isobutyl 3,3-dimethylbutanoate
Molecular Mass 172.265 g·mol−1
Heat of Formation -571.9 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 247.47 Å 3
Surface Area 235.02 Å 2
HOMO Energy -10.54 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropyl 3,3-dimethylbutanoate
  • 3,3-dimethylbutanoic acid isobutyl ester
  • 3,3-dimethylbutyric acid isobutyl ester
  • isobutyl 3,3-dimethylbutyrate
CAS Number(s)
  • 94021-85-9
InChIKey FMJJFNNEPDJCSG-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O