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Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: QSAR estimation
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2010

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPISuite v4.0

Test material

Constituent 1
Reference substance name:
tertiary butyl acetate
IUPAC Name:
tertiary butyl acetate
Constituent 2
Chemical structure
Reference substance name:
tert-butyl acetate
EC Number:
208-760-7
EC Name:
tert-butyl acetate
Cas Number:
540-88-5
Molecular formula:
C6H12O2
IUPAC Name:
tert-butyl acetate

Results and discussion

Any other information on results incl. tables

  Mass amount (%) Half-life (hours) Emissions (kg/hour)
Air  97.5 570 1000
Water 2.24 360 0
Soil 0.275 720 0
Sediment 0.00524 3.24E+03 0

Applicant's summary and conclusion

Conclusions:
Level III fugacity modelling using EPISuite v4.00, predicts that tertiary butyl acetate will mainly partition to air.