2-Pentyl-1,3-Dithiane

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Properties Simple | Detailed

Formula C9H18S2
IUPAC Name 2-pentyl-1,3-dithiane
Molecular Mass 190.369 g·mol−1
Heat of Formation -122.3 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 249.76 Å 3
Surface Area 233.81 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dithiacyclohexane, 2-pentyl-
  • 1,3-dithiane, 2-pentyl-
  • 2-amyl-1,3-dithiane
  • hexanal-1,3-dithiane
CAS Number(s)
  • 21777-32-2
InChIKey IEZIRVFWMLLTLQ-UHFFFAOYSA-N
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