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EC number: 449-160-7 | CAS number: -
Phototransformation in air
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
Additional information
The SRC AOPWIN program (v1.92) has been used to obtain values of the rate constantkOHfor the main components of reaction of Ureidopropyltrialkoxysilane, mixed methoxy and ethoxy esters (116912-64-2)and [3-(trihydroxysilyl)propyl]urea with hydroxyl radicals. This prediction method has not been validated to assess applicability to silanes and silanols; therefore, there is uncertainty associated with the calculated values obtained.
The overall half-life in air under default conditions of hydroxyl radical concentration was calculated using the following expressions:
kdegair(d-1) = kOH(cm3/molecule.sec) x OH Concair(molecules/cm3) x 24 x 3600
DT50(d) = ln 2/ kdegair(d-1)
Where:
kdegair= total rate constant for degradation in air
kOH= rate constant for reaction with hydroxyl radicals
OH Concair= concentration of hydroxyl radicals in air =5 x 105OH molecules/ cm3
DT50= half-life
The results are given in Table 4.1.2.
Table4.1.2Results of photodegradation in air calculations
Parameter |
Result, COO[Si](OOC)(OOC)CCCNC(N)=O |
Result, SMILES: COO[Si](OOC)(OOCC)CCCNC(N)=O
|
Result, SMILES: CCOO[Si](OOCC)(CCCNC(N)=O)OOC
|
Result, SMILES: CCOO[Si](OOCC)(CCCNC(N)=O)OOCC |
Result, [3-(trihydroxysilyl)propyl]urea |
kOH(cm3/ molecule.sec) |
7.79 x 10-12 |
10.76 x 10-12 |
11.72 x 10-12 |
12.69 x 10-12 |
19.73 x 10-12 |
kdegair (d-1) |
0.33 |
0.46 |
0.51 |
0.54 |
0.85 |
DT50(days) |
1.6 |
1.49 |
1.3 |
1.2 |
0.81 |
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