1-Pyrenylmethyl Laurate

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Properties Simple | Detailed

Formula C29H34O2
IUPAC Name pyren-1-ylmethyl dodecanoate
Molecular Mass 414.579 g·mol−1
Heat of Formation -375.5 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 545.49 Å 3
Surface Area 399.05 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 1-pyrenylmethyl dodecanoate
  • dodecanoic acid 1-pyrenylmethyl ester
  • dodecanoic acid, 1-pyrenylmethyl ester
  • lauric acid pyren-1-ylmethyl ester
  • pmles
  • pyrene-methyl lauryl ester
  • pyrenemethyl laurate
CAS Number(s)
  • 124252-59-1
InChIKey QVQHBTBYPGOZLP-UHFFFAOYSA-N
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