ε-caprolactam

Distribution modelling

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

Test material information

Constituent 1

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