Registration Dossier

Environmental fate & pathways

Phototransformation in air

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method. Original calculation report not available.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on AOPWIN programme v1.53; Syracuse Research Corporation, Syracuse, NY, USA
GLP compliance:
no
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 5E5 molecule/cm3
- Degradation rate constant: 1.13547E-11 cm3/molecule * sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWin v1.53
DT50:
1.4 d
Test condition:
24h day, c(OH) = 5E5 OH/cm³
Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method. Original calculation report not available.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on AOPWIN programme v1.90; Estimation Program Interface Suite™, v3.10. Syracuse Research Corporation, Syracuse, NY, USA
GLP compliance:
no
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 1.5E6 molecule/cm3
- Degradation rate constant: 1.267E-11 cm3/molecule * sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWin v1.90
DT50:
0.844 d
Test condition:
12h day, c(OH) = 1.5E6 OH/cm³
Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
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
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E+06 radicals/cm3
- Degradation rate constant: 30.384 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92
DT50:
30.38 h
Test condition:
calculation based on a 24 h day

For detailed description 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.

Description of key information

Phototransformation in air is not relevant.

Key value for chemical safety assessment

Additional information

No experimental studies investigating the phototransformation in air of any member of the PFAE linear is available. Based on QSAR calculations using AOPWIN v1.92, all substances are susceptile to indirect photodegradation in air. The estimated half times for the reaction with OH-radicals are in the range of 6 - 37 hours (24h day; OH-concentration: 0.5E+06 OH/cm3). However, photodegradation is not an important environmental fate process since all substances are not expected to evaporate into the atmosphere due to the low vapor pressure of < 1 Pa at 20 °C.