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Diss Factsheets

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:
2007-07-10
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: It is not a REACH requirement. The estimation is submitted for sake of completeness.
Cross-reference
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
other: Calculation
Title:
Unnamed
Year:
2007
Report date:
2007

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
model calculation according to the Atkinson calculation method
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Pentapotassium bis(peroxymonosulphate) bis(sulphate)
EC Number:
274-778-7
EC Name:
Pentapotassium bis(peroxymonosulphate) bis(sulphate)
Cas Number:
70693-62-8
Molecular formula:
H3K5O18S4
IUPAC Name:
pentapotassium bis(peroxymonosulphate) bis(sulphate)
Details on test material:
Furthermore, the rate constants of Caro's acid (Peroxysulfuric acid), which is the free acid of Potassium peroxomonosulfate, are estimated in addition.
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
not indicated

Study design

Estimation method (if used):
The photochemical and oxidative decompositions of Potassium peroxomonosulfate and Caro’s acid in air are calculated according to Atkinson.
The calculation is performed with the help of the programme AOPWIN, Atmospheric Oxidation Programme v1.92 for (© 2000 US Environmental Protection Agency).
Light source:
not specified
Details on light source:
not indicated
Details on test conditions:
not indicated
Reference substance:
not specified

Results and discussion

Preliminary study:
not indicated
Test performance:
not indicated
Results with reference substance:
not indicated

Any other information on results incl. tables

OH radical reaction rate constant kOH

The overall OH rate constant is estimated to be:

Potassium peroxomonosulfate kOH = 4.0000 × 10-12 cm³ molecule-1 sec-1

Caro´acid (Peroxysulfuric acid) kOH =4.1400 × 10 -12 cm³ molecule-1 sec-1

Ozone reaction rate constant kOzone

As both substances contain no olefinic carbon-carbon double and acetylic triple bonds, Potassium peroxomonosulfate and Caro´s acid are not expect to react with ozone.

Atmospheric half-life using

kOH

The tropospherical half life can be calculated using the following relation: t1/2 = ln2/kOH x [OH] with [OH] being the OH radicals concentration in the troposphere of 0.5 x 106 molecule cm³ considering 24 hours irradiation per day.

The DT50 for Potassium peroxomonosulfate and Caro´s acid are estimated to be 4.011 days (24-hr day; corresponding to 96.264 hours) and 3.875 days (24-hr day; corresponding to 93.009 hours), respectively.

Atmospheric half-life using kOzone

No ozone reaction is estimated (Potassium peroxomonosulfate and Caro´s acid contain no olefinic carbon-carbon double and acetylic triple bonds)

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
Potassium peroxomonosulfate and Caro’s acid degrade in the atmosphere with a DT50 value of 4.011 days (24-hr day; corresponding to 96.264 hours) and 3.875 days (24-hr day; corresponding to 93.009 hours), respectively. As both substances contain no olefinic carbon-carbon double and acetylic triple bonds, they are not expected to react with ozone.
Executive summary:

Materials and methods

The photochemical and oxidative decompositions of Potassium peroxomonosulfate and Caro´s acid in air are calculated according to Atkinson.

Results and discussion

Reaction rate constant

Potassium peroxomonosulfate kOH = 4.0000 × 10-12 cm3 molecule-1 sec-1

Caro´acid (Peroxysulfuric acid) kOH =4.1400 × 10-12 cm3 molecule-1 sec-1

Tropospherical half life

The DT50 for Potassium peroxomonosulfate and Caro´s acid are estimated to be 4.011 days (24-hr day; corresponding to 96.264 hours) and 3.875 days (24-hr day; corresponding to 93.009 hours), respectively.