Martin, D.; Sild, S.; Maran, U.; Karelson, M. QSPR Modeling of the Polarizability of Polyaromatic Hydrocarbons and Fullerenes. J. Phys. Chem. C 2008, 112, 13, 4785–4790.
Compound
| ID: | FL | |
|---|---|---|
| Name: | fluorene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 86-73-7 | |
| InChi Code: | InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2 |
Properties
p_abinitio: Ab initio calculated polarizability [Å^3]
| Value | Source or prediction |
|---|---|
| 20.5 |
experimental value |
| 22.3 |
Eq2: Main model (Training set) |
| 24.5 |
Model_nA: Additional model with descriptor - number of atoms (Training set) |
| 21.3 |
Model_nC: Additional model with descriptor - number of carbon atoms (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8024105 | US EPA CompTox Dashboard |