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:	NPTH
	Name:	naphthalene
	Description:
	Labels:	Validation
	CAS:	91-20-3
	InChi Code:	InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

Properties

p_abinitio: Ab initio calculated polarizability [Å^3]

Value	Source or prediction
15.6	experimental value
17.4	Eq2: Main model (Validation set)
16.8	Model_nA: Additional model with descriptor - number of atoms (Validation set)
17.3	Model_nC: Additional model with descriptor - number of carbon atoms (Validation set)

Links to External Resources

Link	Resource description
DTXSID8020913	US EPA CompTox Dashboard