Butyl 4,4-Dimethylpentanoate

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Properties Simple | Detailed

Formula C11H22O2
IUPAC Name butyl 4,4-dimethylpentanoate
Molecular Mass 186.291 g·mol−1
Heat of Formation -588.4 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 268.86 Å 3
Surface Area 259.91 Å 2
HOMO Energy -10.66 ± 0.55 eV
LUMO Energy 4.24 ± eV
Point Group Symmetry Cs
Synonyms
  • 4,4-dimethylpentanoic acid butyl ester
  • 4,4-dimethylvaleric acid butyl ester
  • butyl neoheptanoate
  • n-butyl neoheptanoate
  • neoheptanoic acid, butyl ester
CAS Number(s)
  • 68039-02-1
InChIKey MWIRMYXMMPLBOV-UHFFFAOYSA-N
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Elements H C O