2,2-Dimethylpropyl 3,3-Dimethylbutanoate

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Properties Simple | Detailed

Formula C11H22O2
IUPAC Name 2,2-dimethylpropyl 3,3-dimethylbutanoate
Molecular Mass 186.291 g·mol−1
Heat of Formation -597.6 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 271.26 Å 3
Surface Area 248.21 Å 2
HOMO Energy -10.52 ± 0.55 eV
LUMO Energy 4.30 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,3-dimethylbutanoic acid 2,2-dimethylpropyl ester
  • 3,3-dimethylbutyric acid neopentyl ester
InChIKey KJDJTQCDCWWKQV-UHFFFAOYSA-N
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Elements H C O