4-Methylpentyl Cyclopentanecarboxylate

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Properties Simple | Detailed

Formula C12H22O2
IUPAC Name isohexyl cyclopentanecarboxylate
Molecular Mass 198.302 g·mol−1
Heat of Formation -552.3 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 277.73 Å 3
Surface Area 267.72 Å 2
HOMO Energy -10.59 ± 0.55 eV
LUMO Energy 0.88 ± eV
Point Group Symmetry C1
Synonyms
  • cyclopentanecarboxylic acid isohexyl ester
  • cyclopentanecarboxylic acid, 4-methylpentyl ester
InChIKey DSEAOHFTDWDJGO-UHFFFAOYSA-N
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Elements H C O