Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Environmental fate & pathways

Distribution modelling

Currently viewing:

Administrative data

Endpoint:
distribution modelling
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2009
Report date:
2009

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:
2-ethylhexan-1-ol
EC Number:
203-234-3
EC Name:
2-ethylhexan-1-ol
Cas Number:
104-76-7
Molecular formula:
C8H18O
IUPAC Name:
2-ethylhexan-1-ol
Constituent 2

Study design

Test substance input data:
The following physico-chemical properties of the substance were used to calculate the distribution:
- molecular mass:    130.23 g/mol
- data temperature: 25 °C
- log Kow:          2.97 (1)
- water-solubility: 880 g/m³ (2)
- Henry´s law constant: 2.14 Pa*m³/mol (3)
- vapour pressure: 18.1 Pa (2)
- melting point: -70 °C (2)

source:
(1) BASF AG, 1987
(2) EPIWIN v3.20 experimental database value
(3) Calculated by Mackay L I programme
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 (%):
39.2
Water (%):
52.9
Soil (%):
3.9
Sediment (%):
4

Any other information on results incl. tables

Over time, the substance will preferentially distribute into the compartments air (38.2%) and water (51.5%).


Applicant's summary and conclusion