Registration Dossier
Registration Dossier
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EC number: - | CAS number: -
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2022
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction
Software: EPI Suite v4.11 - Principles of method if other than guideline:
- The Atmospheric Oxidation Program for Microsoft Windows (AOPWIN) estimates the rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals. It also estimates the rate constant for the gas-phase reaction between ozone and olefinic/acetylenic compounds. The rate constants estimated by the program are then used to calculate atmospheric half-lives for organic compounds based upon average atmospheric concentrations of hydroxyl radicals and ozone.
- Reaction with:
- ozone
- Rate constant:
- cm³ molecule-1 s-1
- Reaction with:
- OH radicals
- Rate constant:
- cm³ molecule-1 s-1
- Conclusions:
- In the atmosphere etherdiamine C12-14 ace. is likely to be degraded by reaction with hydroxyl radicals. The half-life in air is calculated using the EPIsuite QSAR using the advised 1500000 OH-radicals/cm3.
- Executive summary:
In the atmosphere etherdiamine C12-14 ace. is likely to be degraded by reaction with hydroxyl radicals. Degradation rates for the amine were calculated with the Atmospheric Oxidation Programme based on structure activity relationships developed by Atkinson (1987). With a concentration of 1500,000 OH-radicals/cm3, degradation half-lives of 1.844 h for for the two main constituent was calculated. Because there are no important releases into the atmosphere and volatilisation is expected to be negligible, this removal mechanism is thought to be of low relevance.
Reference
Description of key information
In the atmosphere etherdiamine C12-14 ace. is likely to be degraded by reaction with hydroxyl radicals. Degradation rates for the amine were calculated with the Atmospheric Oxidation Programme based on structure activity relationships developed by Atkinson (1987). With a concentration of 1500,000 OH-radicals/cm3, a degradation half-live of 1.844 h for the main constituent was calculated. Because there are no important releases into the atmosphere and volatilisation is expected to be negligible, this removal mechanism is thought to be of low relevance.
Key value for chemical safety assessment
- Half-life in air:
- 1.844 h
Additional information
Because of the low vapour pressure of 0.053 mPa, there are no important releases into the atmosphere and volatilisation is expected to be negligible, this removal mechanism is thought to be of low relevance.
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