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Environmental fate & pathways

Phototransformation in air

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Administrative data

Endpoint:
phototransformation in air
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2007
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Acceptable, well-documented publication/study report which meets basic scientific principles
Cross-referenceopen allclose all
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2007

Materials and methods

Principles of method if other than guideline:
Calculation with AOP v1.90
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
No details given
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
Not relevant

Study design

Estimation method (if used):
No details given
Light source:
not specified
Details on light source:
No details given
Details on test conditions:
No details given
Reference substance:
not specified

Results and discussion

Preliminary study:
No details given
Test performance:
No details given
% Degradationopen allclose all
% Degr.:
50
Sampling time:
5.05 h
% Degr.:
50
Sampling time:
0.42 d
Test condition:
(12-h day; 1.5 * 10E6 OH/cm3)
Transformation products:
not specified
Results with reference substance:
No details given

Any other information on results incl. tables

-------- SUMMARY (AOP v1.90): HYDROXYL RADICALS ------------

Hydrogen Abstraction       =  25.4314 E-12 cm3/molecule-sec

Reaction with N, S and -OH =   0.0000 E-12 cm3/molecule-sec

Addition to Triple Bonds   =   0.0000 E-12 cm3/molecule-sec

Addition to Olefinic Bonds =   0.0000 E-12 cm3/molecule-sec

Addition to Aromatic Rings =   0.0000 E-12 cm3/molecule-sec

Addition to Fused Rings    =   0.0000 E-12 cm3/molecule-sec

OVERALL OH Rate Constant =  25.4314 E-12 cm3/molecule-sec

HALF-LIFE =     0.421 Days (12-hr day; 1.5E6 OH/cm3)

HALF-LIFE =     5.047 Hrs

------------------- SUMMARY (AOP v1.90): OZONE REACTION ----------------------

               ******  NO OZONE REACTION ESTIMATION ******

               (ONLY Olefins and Acetylenes are Estimated)

Experimental Database Structure Match:

  Chem Name :  Butanal

  CAS Number:  000123-72-8

  Exper OH rate constant   :  23.5  E-12  cm3/molecule-sec

    Exper OH Reference:  ATKINSON,R (1985)

  Exper Ozone rate constant:  ---  cm3/molecule-sec

  Exper NO3 rate constant  :  ---  cm3/molecule-sec

Applicant's summary and conclusion

Validity criteria fulfilled:
not specified
Conclusions:
Calculation with AOP v1.90. 50% degradation found after 5 hours.
Executive summary:

Calculation with AOP v1.90. 50% degradation found after 5 hours.