Registration Dossier

Environmental fate & pathways

Phototransformation in air

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Administrative data

Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model. Calculation for main component of Glycerides, tall-oil mono-, di-, and tri-.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report Date:
2013

Materials and methods

Principles of method if other than guideline:
Calculation based on AOPWIN v1.92, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): C18:1 FA mono component of Glycerides, tall-oil mono-, di- and tri-
- Molecular formula (if other than submission substance): C21H40O4
- Molecular weight (if other than submission substance): 356.5 g/mol
- Smiles notation: CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO
- Physical state: liquid (melting point =6 °C)
- Analytical purity: not applicable

Study design

Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E+06 radicals/cm3
- Degradation rate constant: 87.5181 E-12 cm3/molecule-sec (Cis-isomer); 95.1181 E-12 (Trans-isomer)
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92

Results and discussion

Dissipation half-life of parent compoundopen allclose all
DT50:
4 h
Test condition:
calculation based on a 24 h day (Trans-isomer)
DT50:
4.4 h
Test condition:
calculation based on a 24 h day (Cis-isomer)

Any other information on results incl. tables

For detailed describtion on the model and its applicability, see "Any other information on materials and methods incl. tables". The estimation is based on a 24 hour day.

Applicant's summary and conclusion