11-(Ethylsulfanyl)Undecanoic Acid

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Properties Simple | Detailed

Formula C13H26O2S
IUPAC Name 11-ethylsulfanylundecanoic acid
Molecular Mass 246.409 g·mol−1
Heat of Formation -616.6 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 345.33 Å 3
Surface Area 333.77 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 11-(ethylthio)undecanoic acid
  • 11-ethylthioundecanoic acid
  • 12-thiamyristic acid
  • s12
  • undecanoic acid, 11-(ethylthio)-
CAS Number(s)
  • 114019-70-4
InChIKey YDNFLXXNJDMLOT-UHFFFAOYSA-N
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