4-Tert-Butylbenzoic Acid

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Properties Simple | Detailed

Formula C11H14O2
IUPAC Name 4-tert-butylbenzoic acid
Molecular Mass 178.228 g·mol−1
Heat of Formation -382.1 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 229.87 Å 3
Surface Area 216.32 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-t-butylbenzoic acid
  • benzoic acid, 4-(1,1-dimethylethyl)-
  • benzoic acid, 4-tert-butyl-
  • benzoic acid, p-tert-butyl-
  • benzoic acid,4-tert.butyl
  • p-sec-butylbenzoic acid
  • p-tert-butylbenzoic acid
  • tbba
CAS Number(s)
  • 98-73-7
InChIKey KDVYCTOWXSLNNI-UHFFFAOYSA-N
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