4-Methylpentyl 2-Methylpropanoate

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Properties Simple | Detailed

Formula C10H20O2
IUPAC Name isohexyl 2-methylpropanoate
Molecular Mass 172.265 g·mol−1
Heat of Formation -564.1 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 248.55 Å 3
Surface Area 243.32 Å 2
HOMO Energy -10.55 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid isohexyl ester
  • 2-methylpropionic acid isohexyl ester
  • 4-methylpentyl isobutyrate
CAS Number(s)
  • 35852-44-9
InChIKey AJCVRKAWPQPCAA-UHFFFAOYSA-N
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Elements H C O