Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
May 2013
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The QSAR is fully validated for the substance type (organics).
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Software
Title:
Unnamed
Year:
2010
Report date:
2013

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPISUITE (LEVEL3NT.EXE)
Release year:
2 010

Test material

Constituent 1
Chemical structure
Reference substance name:
Dimethyl naphthalene-2,6-dicarboxylate
EC Number:
212-661-4
EC Name:
Dimethyl naphthalene-2,6-dicarboxylate
Cas Number:
840-65-3
Molecular formula:
C14H12O4
IUPAC Name:
2,6-dimethyl naphthalene-2,6-dicarboxylate
Test material form:
solid: flakes
Details on test material:
CAS number: 840-65-3

Results and discussion

Percent distribution in media

Air (%):
4.33
Water (%):
24.4
Soil (%):
70.9
Sediment (%):
0.341
Other distribution results:
Half-life (hr):
Air: 130
Water: 360
Soil: 720
Sediment: 3.24E+03

Emissions (kg/hr):
Air: 1000
Water: 1000
Soil: 1000
Sediment: 0

Persistence Time 435 hrs

Applicant's summary and conclusion

Conclusions:
Dimethyl-2,6-napthalenecarboxylate was predicted to distribute predominantly to the soil phase (70.9%), according to the calculations of the Mackey Level III fugacity model.