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: | 1875 | |
|---|---|---|
| Name: | 2,2,3,3-tetrafluoropropan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2,3,3-tetrafluoro-1-propanol | |
| Labels: | ||
| CAS: | 76-37-9 | |
| InChi Code: | InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 4.186 |
experimental value |
| 3.0223 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| 1.167 |
experimental value |
| 1.8318 |
Tab2.Model_16: PFC vapor pressure (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8058796 | US EPA CompTox Dashboard |