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Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
estimated by calculation
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: Fugacity-Based Environmental Equilibrium Partitioning Model
Title:
The fugacity model level I
Author:
Mackay D
Year:
2001
Bibliographic source:
Multimedia Environmental Models: The fugacity Approach 2nd Edition, Lewis Publishers. Boca, Raton, pp: 1-261. [available on line] , URL: http://www.trentu.ca/cemc/

Materials and methods

Model:
calculation according to Mackay, Level I
Release year:
2 009
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Pyrocatechol
EC Number:
204-427-5
EC Name:
Pyrocatechol
Cas Number:
120-80-9
Molecular formula:
C6H6O2
IUPAC Name:
pyrocatechol

Study design

Test substance input data:
Log Kow: 0.93 (mean value of Klimisch 2 data)
Water Solubility: 517.5 g/L (mean value of data measured at 20°C)
Vapour Pressure: 5 Pa
Melting point : 105 °C
Molecular Weight: 110.1122
Temperature: 25°C

Results and discussion

Percent distribution in media

Water (%):
99.2
Soil (%):
0.75
Sediment (%):
0.02
Other distribution results:
Air: 0.02%

Applicant's summary and conclusion

Conclusions:
Ultimate destination of catechol: WATER.

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