Nr2975000 [Rtecs]

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Properties Simple | Detailed

Formula C6H12O2
IUPAC Name 4-methylpentanoic acid
Molecular Mass 116.158 g·mol−1
Heat of Formation -509.9 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 158.92 Å 3
Surface Area 163.83 Å 2
HOMO Energy -11.12 ± 0.55 eV
LUMO Energy 3.98 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutane-1-carboxylic acid
  • 4,4-dimethylbutanoic acid
  • 4-methyl valeric acid
  • 4-methyl-pentanoic acid
  • 4-methylvaleric acid
  • 4mv
  • alpha-chloroisocaproic acid
  • hri
  • isobutylacetic acid
  • isocaproic acid
  • isohexanoic acid
  • isohexanoic acid (mixed isomers)
  • isohexanoic acid, mixed isomers
  • lmfa01020076
  • pentanoic acid, 4-methyl-
  • t5290846
  • valeric acid, 4-methyl-
  • valeric acid, 4-methyl- (8ci)
CAS Number(s)
  • 1866-94-0
  • 38784-67-7
  • 646-07-1
  • 1331-16-4
InChIKey FGKJLKRYENPLQH-UHFFFAOYSA-N
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