Registration Dossier

Administrative data

Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2007
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Model considered valid by OECD
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR model
Title:
EPI Suite v3.20
Author:
US EPA
Year:
2007
Bibliographic source:
http://epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
QSAR model
GLP compliance:
no
Remarks:
not applicable

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
not applicable

Study design

Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS - assumed reaction conditions used in model:
- Concentration of OH radicals: 1.5x10^6 per cm3
- Temperature for which rate constant was calculated: 25C
- Computer programme: AOPWIN v1.92
Light source:
sunlight

Results and discussion

Results with reference substance:
OVERALL OH Rate Constant = 39.8895 E-12 cm3/molecule-sec
HALF-LIFE = 0.267 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 3.21 Hrs

Any other information on results incl. tables

Hydrogen Abstraction Calculation:

Ksec = 0.934 F(-CH2-)F(-O-)=0.934(1.230)(6.100)x5= 35.039

Ksec = 0.934 F(-OH)F(-CH2-)=0.934(3.500)(1.230)= 4.021

Kprim = 0.136 F(-O-)=0.136(6.1)= 0.829

H Abstraction TOTAL = 39.890 E-12 cm3/molecule-sec

Reaction Rates With -OH: K(-OH) = 0.140 E-12 cm3/molecule-sec

Applicant's summary and conclusion

Conclusions:
The photochemical degradation rate of 2 -(2 -butoxyethoxy)ethanol in the atmosphere is 51.5 E-12 cm3/molecule-sec, with a resultatnt predicted half live of 2.5 Hrs
Executive summary:

Using the AOPWIN QSAR model, the photochemical degradation rate of 2 -(2 -(2 -methoxyethoxy)ethoxy)ethanol in the atmosphere is 39.89 E-12 cm3/molecule-sec, with a resultant predicted half live of 3.2 Hrs