Isohexyl 2,2-Dimethylbutanoate

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Properties Simple | Detailed

Formula C12H24O2
IUPAC Name isohexyl 2,2-dimethylbutanoate
Molecular Mass 200.318 g·mol−1
Heat of Formation -605.9 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 290.51 Å 3
Surface Area 271.1 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylbutanoic acid isohexyl ester
  • 2,2-dimethylbutyric acid isohexyl ester
InChIKey WDPOYSSORRDLCQ-UHFFFAOYSA-N
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Elements H C O