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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:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Acceptable calculation method

Data source

Reference
Reference Type:
other: Mackay calculation
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Level I Version 3.00
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
3-(3-hydroxypropyl)oxazolidin-2-one
EC Number:
431-840-1
EC Name:
3-(3-hydroxypropyl)oxazolidin-2-one
Cas Number:
87010-29-5
Molecular formula:
C6 H11 N O3
IUPAC Name:
3-(3-hydroxypropyl)oxazolidin-2-one
Details on test material:
- Analytical purity: pure substance

Study design

Test substance input data:
The following physicochemical properties of the substance were used to calculate the distribution:

- Molar mass: 145.16 (EPI Suite v4.11)
- Data temperature: 20 °C (in accordance with measured vapor pressure)
- Water solubility: 1000000 g/m³ (ASTA Medica AG, 1998)
- Vapour pressure: 0.002 Pa (ASTA Medica AG, 1998)
- log Pow: -1.22 (ASTA Medica AG, 1998)
- Melting point: -80°C (ASTA Medica AG, 1998)
- Henry´s law constant: 2.90E-07 Pa*m³/mol (calculated by Mackay Level I program)
Environmental properties:
Volume [m³] Density [kg/m³] Org. C [g/g] Fish lipid [g/g]
Air 6.0 E+09 1.19
Water 7.0 E+06 1000
Soil 45000 1500 0.02
Sediment 21000 1300 0.05
Susp. particles 35.0 1500 0.167
Fish 7.0 1000 0.05
Aerosole 0.12 1500

Results and discussion

Percent distribution in media

Water (%):
100

Any other information on results incl. tables

Over time, the uncharged substance will preferentially distribute into the compartment water (100%).

Applicant's summary and conclusion