2-Pentanyl Cyclohexanecarboxylate

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Properties Simple | Detailed

Formula C12H22O2
IUPAC Name [(1s)-1-methylbutyl] cyclohexanecarboxylate
Molecular Mass 198.302 g·mol−1
Heat of Formation -577.9 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 277.25 Å 3
Surface Area 256.13 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
InChIKey DRYBEAFNKKGQSO-JTQLQIEISA-N
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Elements H C O