- InChI
- InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-6H2
- InChI Key
- ZPWOOKQUDFIEIX-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C1#CCCCCCC1
- Molecular Weight1
- 108.18
- CAS
- 1781-78-8
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | [8.90; 9.10] | eV |
|
| IE | 8.90 | eV | NIST |
| IE | 9.10 | eV | NIST |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.344 | Crippen Calculated Property | |
| McVol | 104.120 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to Cyclooctyne.
Sources
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