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:	ANP
	Name:	acenaphthene
	Description:
	Labels:	Training
	CAS:	83-32-9
	InChi Code:	InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2

Properties

p_abinitio: Ab initio calculated polarizability [Å^3]

Value	Source or prediction
18.7	experimental value
20.9	Eq2: Main model (Training set)
22.9	Model_nA: Additional model with descriptor - number of atoms (Training set)
19.9	Model_nC: Additional model with descriptor - number of carbon atoms (Training set)

Links to External Resources

Link	Resource description
DTXSID3021774	US EPA CompTox Dashboard