Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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 1 calculation report
Title:
Unnamed
Year:
2007

Materials and methods

Model:
calculation according to Mackay, Level I
Release year:
2 007
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
ε-caprolactam
EC Number:
203-313-2
EC Name:
ε-caprolactam
Cas Number:
105-60-2
Molecular formula:
C6H11NO
IUPAC Name:
azepan-2-one
Details on test material:
- test substance: epsilon-Caprolactam; CAS No.: 105-60-2.

Study design

Test substance input data:
molecular mass (g/mol): 113.16
log Kow: 0.12
water solubility (g/m³): 8.7E+05
vapour pressure (Pa): 0.13 Pa
melting point (°C): 69.3 °C
data Temperature (°C): 20
Environmental properties:
Model parameters:
Volume Density org. C fish lipid
[m3] [kg/m3] [g/g] [g/g]
air 6.00E+09 1.185 - -
water 7.00E+06 1000 - -
soil 45000 1500 0.02 -
sediment 21000 1300 0.05 -
susp. sed. 35 1500 0.167 -
fish 7 1000 - 0.05
aerosol 0.12 1500 - -

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
100
Soil (%):
0.01
Sediment (%):
0.01
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion