Octyl Nicotinate

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Properties Simple | Detailed

Formula C14H21NO2
IUPAC Name octyl pyridine-3-carboxylate
Molecular Mass 235.322 g·mol−1
Heat of Formation -375.6 ± 16.7 kJ·mol−1
Dipole Moment 0.25 ± 1.08 D
Volume 314.02 Å 3
Surface Area 307.47 Å 2
HOMO Energy -10.55 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pyridinecarboxylic acid octyl ester
  • 3-pyridinecarboxylic acid, octyl ester
  • nicotinic acid octyl ester
  • nicotinic acid, octyl ester
CAS Number(s)
  • 70136-02-6
InChIKey TYBQVEHLLOHMLT-UHFFFAOYSA-N
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