3-Methylbutanoyl (3S)-3-Methylhexanoate

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Properties Simple | Detailed

Formula C12H22O3
IUPAC Name 3-methylbutanoyl (3s)-3-methylhexanoate
Molecular Mass 214.301 g·mol−1
Heat of Formation -758.9 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 295.13 Å 3
Surface Area 282.59 Å 2
HOMO Energy -10.51 ± 0.55 eV
LUMO Energy 3.67 ± eV
Point Group Symmetry C1
InChIKey YAUKDWSDPLSIFX-JTQLQIEISA-N
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Elements H C O