2,2-Dimethylbutanoic Acid

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Properties Simple | Detailed

Formula C6H12O2
IUPAC Name 2,2-dimethylbutanoic acid
Molecular Mass 116.158 g·mol−1
Heat of Formation -510.1 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 159.7 Å 3
Surface Area 156.64 Å 2
HOMO Energy -10.79 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
Synonyms
  • .alpha.,.alpha.-dimethylbutanoic acid
  • .alpha.,.alpha.-dimethylbutyric acid
  • 2,2-dimethyl butanoic acid
  • 2,2-dimethyl-butanoic acid
  • 2,2-dimethylbutyric acid
  • alpha,alpha-dimethylbutanoic acid
  • alpha,alpha-dimethylbutyric acid
  • butanoic acid, 2,2-dimethyl-
  • butyric acid, 2,2-dimethyl-
  • dimethyl ethyl acetic acid
  • lmfa01020078
  • neohexanoic acid
CAS Number(s)
  • 595-37-9
InChIKey VUAXHMVRKOTJKP-UHFFFAOYSA-N
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