Registration Dossier

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: Value is predicted from model. Thus, it provides an approximation compared to experimental measure.

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
Unnamed
Year:
2013
Report Date:
2013

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPI Suite v4.11
Release year:
2 013
Media:
other: air- water- soil- sediment

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
not specified
Details on test material:
Calculation is based on the structure of quinic acid.

Results and discussion

Percent distribution in media

Air (%):
0.007
Water (%):
28.2
Soil (%):
71.8
Sediment (%):
0.059

Any other information on results incl. tables

   air  water  soil  sediment

mass amount (%)

0.00695  28.2 71.8 0.0593
half-life (hr)  6.32 208 416  1.87E+003
emissions (kg/hr)  1000  1000  1000  0
fugacity (atm)   3.9E-015  6.89E-017  3.61E-015  5.85E-017

reaction (kg/hr)

 9.43   1.16E+003  1.48E+003 0.272

advection (kg/hr)

0.86 349  0 0.0147

reaction (%)

 0.314  38.7  49.3  0.00906

advection (%)

 0.0287  11.06  0  0.00049

persistence time: 413 hr

reaction time: 467 hr

advection time: 3.54E+003 hr

percent reacted: 88.3

percent advected: 11.7

half-lives (hr), (based upon Biowin and Aopwin):

air: 6.319

water: 208.1

soil: 416.2

sediment: 1873

biowin estimate: 3.407 (days-weeks)

advection time:

air: 100

water: 1000

sediment: 5E+004

Applicant's summary and conclusion

Conclusions:
According to the calculated distribution quinic acid mainly retains to soil and water.
Executive summary:

According to the fugacity model, Level III, the distribution of quinic acid to air - water - soil - sediment is 0.00695 - 28.2 - 71.8 - 0.0593 %. These results show, that the majority retains in soil and water, while there is just little available in the air and sediments.