(2S)-2-(2-Propyn-1-Yl)Octanoic Acid

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Properties Simple | Detailed

Formula C11H18O2
IUPAC Name (2s)-2-prop-2-ynyloctanoic acid
Molecular Mass 182.259 g·mol−1
Heat of Formation -317.5 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 242.11 Å 3
Surface Area 237.4 Å 2
HOMO Energy -10.77 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-hexylpent-4-ynoic acid
  • (2s)-2-prop-2-ynyloctanoic acid
InChIKey DUQSBRQHALCSLC-SNVBAGLBSA-N
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Elements H C O