4-Methylpentanoyl (3S)-3-Methylhexanoate

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Properties Simple | Detailed

Formula C13H24O3
IUPAC Name 4-methylpentanoyl (3s)-3-methylhexanoate
Molecular Mass 228.328 g·mol−1
Heat of Formation -778.6 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 317.18 Å 3
Surface Area 301.71 Å 2
HOMO Energy -10.56 ± 0.55 eV
LUMO Energy 3.62 ± eV
Point Group Symmetry C1
InChIKey XJQSKQRAFRCKJE-NSHDSACASA-N
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Elements H C O