Ethyl 3,3-Dimethylbutanoate

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Properties Simple | Detailed

Formula C8H16O2
IUPAC Name ethyl 3,3-dimethylbutanoate
Molecular Mass 144.211 g·mol−1
Heat of Formation -526.7 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 201.99 Å 3
Surface Area 198.73 Å 2
HOMO Energy -10.58 ± 0.55 eV
LUMO Energy 4.26 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,3-dimethylbutanoic acid ethyl ester
  • 3,3-dimethylbutyric acid ethyl ester
  • 3,3-dimethylbutyric acid, ethyl ester
  • ethyl 3,3-dimethylbutyrate
  • t-c4h9ch2c(o)och2ch3
CAS Number(s)
  • 6662-79-9
  • 5340-78-3
InChIKey JWMNHAMYTBAUPI-UHFFFAOYSA-N
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Elements H C O