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:	TPHNL
	Name:	triphenylene
	Description:
	Labels:	Training
	CAS:	217-59-4
	InChi Code:	InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H

Properties

p_abinitio: Ab initio calculated polarizability [Å^3]

Value	Source or prediction
29.8	experimental value
29.9	Eq2: Main model (Training set)
35.2	Model_nA: Additional model with descriptor - number of atoms (Training set)
27.9	Model_nC: Additional model with descriptor - number of carbon atoms (Training set)

Links to External Resources

Link	Resource description
DTXSID9059757	US EPA CompTox Dashboard