3-Methylbutyl Cyclohexanecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C12H22O2
IUPAC Name isopentyl cyclohexanecarboxylate
Molecular Mass 198.302 g·mol−1
Heat of Formation -564.3 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 274.28 Å 3
Surface Area 259.22 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
Synonyms
  • cyclohexanecarboxylic acid isoamyl ester
  • cyclohexanecarboxylic acid isopentyl ester
  • cyclohexanecarboxylic acid, 3-methylbutyl ester
CAS Number(s)
  • 25183-19-1
InChIKey VLALRUKXGDUQFX-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O