Bhhatarai, B.; Gramatica, P. Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning. Water Res. 2011, 45, 3, 1463–1471.
Compound
| ID: | 013351-73-0 | |
|---|---|---|
| Name: | 1-Methylbenzotriazole | |
| Description: | InChI code and name were downloaded from http://cactus.nci.nih.gov | |
| Labels: | ||
| CAS: | 13351-73-0 | |
| InChi Code: | InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3 |
Properties
MP: Melting point [°C]
| Value | Source or prediction |
|---|---|
| 64.5 |
experimental value |
| 64.4 |
Eq4: Model for melting point (Training set) |
logKow: Octanol/water partition coefficient as logKow
| Value | Source or prediction |
|---|---|
| 1.13 |
experimental value |
| 1.68 |
Eq2: Model for octanol/water partition coefficient (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID40158150 | US EPA CompTox Dashboard |