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:	1991
	Name:	N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
	Labels:
	CAS:	1691-99-2
	InChi Code:	InChI=1S/C12H10F17NO3S/c1-2-30(3-4-31)34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h31H,2-4H2,1H3

Properties

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

Value	Source or prediction
-0.82	experimental value
0.2773	Tab2.Model_15: PFC solubility in water (Training set)

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

Value	Source or prediction
-2.422	experimental value
-3.5574	Tab2.Model_16: PFC vapor pressure (Training set)

Links to External Resources

Link	Resource description
DTXSID6027426	US EPA CompTox Dashboard