Methyl 1-Octanesulfonate

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Properties Simple | Detailed

Formula C9H20O3S
IUPAC Name methyl octane-1-sulfonate
Molecular Mass 208.318 g·mol−1
Heat of Formation -691.4 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 269.91 Å 3
Surface Area 268.05 Å 2
HOMO Energy -11.07 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1-octanesulfonic acid, methyl ester
  • methyl octanesulfonate
  • octane-1-sulfonic acid methyl ester
CAS Number(s)
  • 10307-28-5
InChIKey LNPONCGOKNIEJA-UHFFFAOYSA-N
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