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: | 1880 | |
|---|---|---|
| Name: | hexafluoroprop-1-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: hexafluoropropene | |
| Labels: | ||
| CAS: | 116-15-4 | |
| InChi Code: | InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 2.301 |
experimental value |
| 2.7595 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 4.1269 |
experimental value |
| 2.8108 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| 3.69 |
experimental value |
| 3.2464 |
Tab2.Model_16: PFC vapor pressure (Training set) |