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:	CO
	Name:	coronene
	Description:
	Labels:	Training
	CAS:	191-07-1
	InChi Code:	InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H

Properties

p_abinitio: Ab initio calculated polarizability [Å^3]

Value	Source or prediction
41.4	experimental value
38.2	Eq2: Main model (Training set)
44.4	Model_nA: Additional model with descriptor - number of atoms (Training set)
35.8	Model_nC: Additional model with descriptor - number of carbon atoms (Training set)

Links to External Resources

Link	Resource description
DTXSID5047740	US EPA CompTox Dashboard