2-Pentanyl Butyrate

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Properties Simple | Detailed

Formula C9H18O2
IUPAC Name [(1s)-1-methylbutyl] butanoate
Molecular Mass 158.238 g·mol−1
Heat of Formation -556.0 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 226.68 Å 3
Surface Area 225.09 Å 2
HOMO Energy -10.62 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
InChIKey DJOCFLQKCMWABC-QMMMGPOBSA-N
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Elements H C O