Cetylmercaptan

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Properties Simple | Detailed

Formula C16H34S
IUPAC Name hexadecane-1-thiol
Molecular Mass 258.506 g·mol−1
Heat of Formation -341.0 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 392.01 Å 3
Surface Area 381.18 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hexadecanethiol
  • cetyl mercaptan
  • hexadecanethiol
  • hexadecyl mercaptan
  • mercaptan c16
  • n-hexadecanethiol
  • n-hexadecyl mercaptan
CAS Number(s)
  • 22208-70-4
  • 2917-26-2
InChIKey ORTRWBYBJVGVQC-UHFFFAOYSA-N
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Elements H S C