T-Butylacetic Acid

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Properties Simple | Detailed

Formula C6H12O2
IUPAC Name 3,3-dimethylbutanoic acid
Molecular Mass 116.158 g·mol−1
Heat of Formation -518.0 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 160.17 Å 3
Surface Area 158.52 Å 2
HOMO Energy -10.97 ± 0.55 eV
LUMO Energy 4.03 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,3-dimethyl-butanoic acid
  • 3,3-dimethyl-n-butyric acid
  • 3,3-dimethylbutyric acid
  • butanoic acid, 3,3-dimethyl-
  • butyric acid, 3,3-dimethyl-
  • butyric acid, 3,3-dimethyl- (8ci)
  • des-amino t-butyl glycine
  • lmfa01020079
  • tert-butylacetic acid
CAS Number(s)
  • 1070-83-3
InChIKey MLMQPDHYNJCQAO-UHFFFAOYSA-N
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Elements H C O