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Diss Factsheets

Environmental fate & pathways

Distribution modelling

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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: Acceptable calculation method

Data source

Reference
Reference Type:
other: Mackay calculation
Title:
Unnamed
Year:
2012
Report date:
2012

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
Reference substance name:
Propionic acid
EC Number:
201-176-3
EC Name:
Propionic acid
Cas Number:
79-09-4
IUPAC Name:
propionic acid
Details on test material:
- Name of test material (as cited in study report): CAS 79-09-4, propionic acid
- 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: 74.08 g/mol
- Data temperature: 25 °C
- Water solubility: 1E6 g/m³ (Measured data, PhysProp Database of EPI Suite v4.10)
- Vapour pressure: 4.7hPa (Measured data, PhysProp Database of EPI Suite v4.10)
- log Pow: 0.33 (Measured data, PhysProp Database of EPI Suite v4.10)
- Melting point: -21.1 °C (Measured data, PhysProp Database of EPI Suite v4.10)
- Henry´s law constant: Pa*m³/mol (Calculated by Mackay Level I program)
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 (%):
1.19
Water (%):
98.8
Soil (%):
0.017
Sediment (%):
0.017

Any other information on results incl. tables

Over time, the uncharged substance will preferentially distribute into the compartment water (98.8%). However, as the model does not consider the ionic character of the molecule at environmental relevant pH conditions, the distribution into water may be underestimated by the model.

Applicant's summary and conclusion