4-Methylpentyl Valerate

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Properties Simple | Detailed

Formula C11H22O2
IUPAC Name isohexyl pentanoate
Molecular Mass 186.291 g·mol−1
Heat of Formation -584.5 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 268.97 Å 3
Surface Area 267.2 Å 2
HOMO Energy -10.70 ± 0.55 eV
LUMO Energy 0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methylpentyl pentanoate
  • pentanoic acid isohexyl ester
  • valeric acid isohexyl ester
InChIKey DGPWYHDBEBYWGH-UHFFFAOYSA-N
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Elements H C O