(2R)-2-(2-chlorophenyl)-2-hydroxyethanoic acid

Distribution modelling

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

Test material information

Constituent 1

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