Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1952
	Name:	nonadecafluorodecanoic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: perfluorodecanoic acid
	Labels:
	CAS:	335-76-2
	InChi Code:	InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)

Properties

M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i

Value	Source or prediction
3.955	experimental value
3.1915	Tab2.Model_14: PFC oral rat LD50 (Training set)

M15.logSw: Water solubility as log(Sw) [log(mg/L)]

Value	Source or prediction
-2.29	experimental value
-2.58	Tab2.Model_15: PFC solubility in water (Training set)

M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]

Value	Source or prediction
-2.763	experimental value
-2.2697	Tab2.Model_16: PFC vapor pressure (Training set)

Links to External Resources

Link	Resource description
DTXSID3031860	US EPA CompTox Dashboard