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: | 1985 | |
|---|---|---|
| Name: | octafluorocyclobutane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: octafluorocyclobutane | |
| Labels: | ||
| CAS: | 115-25-3 | |
| InChi Code: | InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10 |
Properties
M15.logSw: Water solubility as log(Sw) [log(mg/L)]
| Value | Source or prediction |
|---|---|
| 1.37 |
experimental value |
| 0.9881 |
Tab2.Model_15: PFC solubility in water (Training set) |
M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| 3.371 |
experimental value |
| 2.838 |
Tab2.Model_16: PFC vapor pressure (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9041811 | US EPA CompTox Dashboard |