Butylmalonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C7H12O4
IUPAC Name 2-butylpropanedioic acid
Molecular Mass 160.168 g·mol−1
Heat of Formation -857.7 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 196.69 Å 3
Surface Area 195.13 Å 2
HOMO Energy -11.17 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • .alpha.-carboxycaproic acid
  • 1,1-pentanedicarboxylic acid
  • 2-butylmalonate
  • 2-butylmalonic acid
  • 2-n-butylmalonate
  • 2-n-butylmalonic acid
  • alpha-carboxycaproic acid
  • butyl malonate
  • butyl malonic acid
  • butylmalonate
  • malonic acid, butyl-
  • malonic acid, butyl- (8ci)
  • n-butyl malonate
  • n-butylmalonic acid
  • propanedioic acid, butyl-
  • propanedioic acid, butyl- (9ci)
  • propanedioic acid, monobutyl ester
CAS Number(s)
  • 5917-45-3
  • 534-59-8
InChIKey MCRZWYDXIGCFKO-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O