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Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data

Data source

Reference
Reference Type:
publication
Title:
BUA-Stoffbericht 265 - 2-Chlorbezonitril, 4-Chlorbenzonitril
Author:
n.a.
Year:
2006
Bibliographic source:
Beratergremium für Altstoffe (BUA) der Gesellschaft Deutscher Chemiker, S.Hirzel Wissenschaftliche Verlagsgesellschaft

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Mackay Level I v2.11
Release year:
1 999
Media:
other: air - sediment - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
2-chlorobenzonitrile
EC Number:
212-836-5
EC Name:
2-chlorobenzonitrile
Cas Number:
873-32-5
Molecular formula:
C7H4ClN
IUPAC Name:
2-chlorobenzonitrile
impurity 1
Reference substance name:
unknown
IUPAC Name:
unknown
Test material form:
solid

Results and discussion

Percent distribution in media

Air (%):
31.9
Water (%):
66.4
Soil (%):
0.8
Sediment (%):
0.8

Applicant's summary and conclusion

Conclusions:
2-chlorobenzonitrile remains mainly in hydrosphere (67 %) and atmosphere (32 %). The distribution into soil and sediments (0.8 % each) is negligible.
Executive summary:

The distribution of 2-chlorobenzonitrile into the environmental compartments air, water, soil, and sediment was modeled using the the Mackay Model Level I v.2.11 (1999). The folleing input parameter were used:

- Molecular weight: 137.57 g/mol

- log Kow (measured): 2.2

- Temperatur: 25 °C

- Water solubility (calculated): 0.6 g/L

- Vapour pressure: 0.06 hPa

Target compartments od 2-chlorobenzonitrile are hydrosphere (67 %) and atmosphere (32 %). The distribution into soil and sediments (0.8 % each) is negligible.

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