Butyl Pivalate

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Properties Simple | Detailed

Formula C9H18O2
IUPAC Name butyl 2,2-dimethylpropanoate
Molecular Mass 158.238 g·mol−1
Heat of Formation -545.5 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 226.77 Å 3
Surface Area 220.17 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,2-dimethylpropanoic acid butyl ester
  • 2,2-dimethylpropionic acid butyl ester
  • 2,2-dimethylpropionic acid, buthyl ester
  • n-butyl pivalate
  • propanoic acid, 2,2-dimethyl-, butyl ester
CAS Number(s)
  • 5129-37-3
InChIKey FCDMDSDHBVPGGE-UHFFFAOYSA-N
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Elements H C O