S-Butyl 3-Methylbutanethioate

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Properties Simple | Detailed

Formula C9H18OS
IUPAC Name s-butyl 3-methylbutanethioate
Molecular Mass 174.304 g·mol−1
Heat of Formation -334.6 ± 16.7 kJ·mol−1
Dipole Moment 0.96 ± 1.08 D
Volume 243.34 Å 3
Surface Area 236.67 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutanethioic acid s-butyl ester
CAS Number(s)
  • 94202-14-9
InChIKey UZTADZXAJHLXKI-UHFFFAOYSA-N
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Elements H C S O