4-Methylpentyl 3-Methylbutanoate

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Properties Simple | Detailed

Formula C11H22O2
IUPAC Name isohexyl 3-methylbutanoate
Molecular Mass 186.291 g·mol−1
Heat of Formation -587.9 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 269.02 Å 3
Surface Area 262.3 Å 2
HOMO Energy -10.67 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
InChIKey UBSHDOVFGRHFJF-UHFFFAOYSA-N
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Elements H C O