3-Methylbutyl 4-Methylpentanoate

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Properties Simple | Detailed

Formula C11H22O2
IUPAC Name isopentyl 4-methylpentanoate
Molecular Mass 186.291 g·mol−1
Heat of Formation -586.8 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 269.19 Å 3
Surface Area 262.89 Å 2
HOMO Energy -10.67 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methylpentanoic acid isopentyl ester
  • 4-methylvaleric acid isoamyl ester
  • n-[4-(4-phenyl-1h-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-yl]acetamide
  • pentanoic acid, 4-methyl, 3-methylbutyl ester
InChIKey XGGPQUVMPUGUIC-UHFFFAOYSA-N
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Elements H C O