Tert-Butyl Butyrate

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Properties Simple | Detailed

Formula C8H16O2
IUPAC Name tert-butyl butanoate
Molecular Mass 144.211 g·mol−1
Heat of Formation -548.6 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 202.97 Å 3
Surface Area 201.2 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy 4.37 ± eV
Point Group Symmetry Cs
Synonyms
  • butanoic acid 1,1-dimethylethyl ester
  • butanoic acid tert-butyl ester
  • butanoic acid, 1,1-dimethylethyl ester
  • butyric acid tert-butyl ester
  • ch3ch2ch2c(o)oc(ch3)3
CAS Number(s)
  • 2308-38-5
InChIKey TWBUVVYSQBFVGZ-UHFFFAOYSA-N
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Elements H C O