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: | 2006 | |
|---|---|---|
| Name: | henicosafluoroundecanoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: perfluoro-n-undecanoic acid | |
| Labels: | ||
| CAS: | 2058-94-8 | |
| InChi Code: | InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34) |
Properties
M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| -3.125 |
experimental value |
| -2.6782 |
Tab2.Model_16: PFC vapor pressure (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8047553 | US EPA CompTox Dashboard |