Isopropyl 3,3-Dimethylbutanoate

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Properties Simple | Detailed

Formula C9H18O2
IUPAC Name isopropyl 3,3-dimethylbutanoate
Molecular Mass 158.238 g·mol−1
Heat of Formation -563.3 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 225.21 Å 3
Surface Area 215.51 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy 4.33 ± eV
Point Group Symmetry C1
Synonyms
  • 3,3-dimethylbutanoic acid isopropyl ester
  • 3,3-dimethylbutyric acid isopropyl ester
  • isopropyl 3,3-dimethylbutyrate
  • propan-2-yl 3,3-dimethylbutanoate
CAS Number(s)
  • 60498-66-0
InChIKey JSMHPWIYMAUZPU-UHFFFAOYSA-N
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