Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.
Compound
| ID: | 28 | |
|---|---|---|
| Name: | 1-butanol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 71-36-3 | |
| InChi Code: | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -2.48 |
experimental value |
| -1.99 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021740 | US EPA CompTox Dashboard |