S-Pentyl Butanethioate

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Properties Simple | Detailed

Formula C9H18OS
IUPAC Name s-pentyl butanethioate
Molecular Mass 174.304 g·mol−1
Heat of Formation -330.1 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 241.77 Å 3
Surface Area 242.6 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry Cs
Synonyms
  • butanethioic acid s-amyl ester
  • butanethioic acid s-pentyl ester
  • butanethioic acid, s-pentyl ester
  • butyric acid, thio-, s-pentyl ester
InChIKey FZNVEJMMOORABS-UHFFFAOYSA-N
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Elements H C S O