S-Octyl Thiobenzoat

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Properties Simple | Detailed

Formula C15H22OS
IUPAC Name s-octyl benzenecarbothioate
Molecular Mass 250.400 g·mol−1
Heat of Formation -208.0 ± 16.7 kJ·mol−1
Dipole Moment 1.01 ± 1.08 D
Volume 337.89 Å 3
Surface Area 322.1 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • benzenecarbothioic acid s-octyl ester
  • s-octyl benzenecarbothioate
  • s-octyl thiobenzoate
  • thiobenzoic acid s-octyl ester
  • tioctilate
CAS Number(s)
  • 10489-23-3
InChIKey RBWOKKSOBWYZQH-UHFFFAOYSA-N
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