Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable method

Data source

Reference
Reference Type:
other: Mackay Level I calculation
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Level I Version 3.0
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
(diethylamino)acetonitrile
EC Number:
221-130-6
EC Name:
(diethylamino)acetonitrile
Cas Number:
3010-02-4
Molecular formula:
C6H12N2
IUPAC Name:
2-(diethylamino)acetonitrile
Details on test material:
- Name of test material (as cited in study report): Acetonitrile, (diethylamino)-

Study design

Test substance input data:
- Molar mass: 112.18 g/mol (EpiWin)
- Data temperature: 20 °C (EpiWin)
- Water solubility: 2.546E+06 mg/L (WSKOW v1.42; EPISuite v4.11)
- Vapour pressure: 200 Pa (BASF AG, 1991; BRU 91.415)
- log Pow: 0.48 (BASF AG, 1989; 104217/04)
- Melting point: -6 °C (BASF SE, 2015; 15S00600)
Environmental properties:
Volume Density Org. C Fish lipid
(m³) (kg/m³) (g/g) (g/g)
air 6.0E+09 1.19
water 7.0E+06 1000
soil 45000 1500 0.02
sediment 21000 1300 0.05
susp. part. 35.0 1500 0.167
fish 7.0 1000 0.05
aerosole 0.120 1500

Results and discussion

Percent distribution in media

Air (%):
3
Water (%):
97
Soil (%):
0
Sediment (%):
0
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Over time, the substance will preferentially distribute into the compartment water (97%) and air (3%).

The data refer to the uncharged molecule.

Applicant's summary and conclusion