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Diss Factsheets

Administrative data

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

Data source

Reference
Reference Type:
other: Mackay Level 1 calculation report
Title:
Unnamed
Year:
2008

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Mackay LEVEL I
Release year:
2 004

Test material

Constituent 1
Chemical structure
Reference substance name:
(2R)-2-(2-chlorophenyl)-2-hydroxyethanoic acid
EC Number:
444-040-0
EC Name:
(2R)-2-(2-chlorophenyl)-2-hydroxyethanoic acid
Cas Number:
52950-18-2
Molecular formula:
Hill formula: C8H7ClO3 CAS formula: C8H7CLO3
IUPAC Name:
(2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid

Study design

Test substance input data:
- Molar Mass: 186,6 g/mol
- Data Temperature 25 °C 298,15 K
- Water Solubility: 67900 g/m³ 364 mol/m³
- Vapour Pressure: 0,350 Pa
- Melting Point: 122 °C 395,15 K
- Log Kow: 1,51
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 (%):
0.03
Water (%):
99.5
Soil (%):
0.25
Sediment (%):
0.26
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion