Cyclohexyl Isopentanoate

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Properties Simple | Detailed

Formula C11H20O2
IUPAC Name cyclohexyl 3-methylbutanoate
Molecular Mass 184.275 g·mol−1
Heat of Formation -559.4 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 253.39 Å 3
Surface Area 239.81 Å 2
HOMO Energy -10.53 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutanoic acid cyclohexyl ester
  • 3-methylbutyric acid cyclohexyl ester
  • butanoic acid, 3-methyl-, cyclohexyl ester
  • cyclohexyl isovalerate
  • cyclohexyl isovalerianate
  • isovaleric acid cyclohexyl ester
  • isovaleric acid, cyclohexyl ester
  • isovaleric acid, cyclohexyl ester (8ci)
CAS Number(s)
  • 7774-44-9
InChIKey SQPOKBBCNZIWFI-UHFFFAOYSA-N
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