Butyl Valerate

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Properties Simple | Detailed

Formula C9H18O2
IUPAC Name butyl pentanoate
Molecular Mass 158.238 g·mol−1
Heat of Formation -540.5 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 224.46 Å 3
Surface Area 231.23 Å 2
HOMO Energy -10.72 ± 0.55 eV
LUMO Energy 4.20 ± eV
Point Group Symmetry Cs
Synonyms
  • butyl valerianate
  • pentanoic acid butyl ester
  • pentanoic acid, butyl ester
  • valeric acid butyl ester
  • valeric acid, butyl ester
CAS Number(s)
  • 591-68-4
InChIKey OKJADYKTJJGKDX-UHFFFAOYSA-N
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Elements H C O