1-Propyn-1-Yl Benzoate

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Properties Simple | Detailed

Formula C10H8O2
IUPAC Name prop-1-ynyl benzoate
Molecular Mass 160.169 g·mol−1
Heat of Formation 27.8 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 195.12 Å 3
Surface Area 202.37 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • benzoic acid prop-1-ynyl ester
  • propynyl benzoate
CAS Number(s)
  • 112270-91-4
InChIKey YGTXEOIHUWEJAR-UHFFFAOYSA-N
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Elements H C O