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Environmental fate & pathways

Phototransformation in air

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Endpoint:
phototransformation in air
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Principles of method if other than guideline:
The photodegradation of imidazolium compounds in air by reaction with OH radicals was calculated using EPIWIN v4.0, AOPWIN v1.92.
GLP compliance:
no
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 1.5 x 10E6 radicals/cm³ (12-h day)
- Degradation rate constant: cis isomer: 127.6 x 10E-12 cm³/molecule x sec
trans isomer: 135.2 x 10E-12 cm³/molecule x sec
- Temperature for which rate constant was calculated: 25°C
- Computer programme: EPIWIN v4.0, AOPWIN v1.92
Test performance:
The photodegradation of imidazolium compounds in air by reaction with OH radicals was calculated using EPIWIN v4.0, AOPWIN v1.92.
Key result
% Degr.:
50
Sampling time:
1 h
Test condition:
25°C
Key result
% Degr.:
50
Sampling time:
0.9 h
Test condition:
25°C

Based on the reaction rate constant k(OH)=127.6 x 10E-12 cm³/molecule x sec (cis isomer) and k(OH)=135.2 x 10E-12 cm³/molecule x sec (trans isomer) and assuming a OH radical concentration of 1.5E6 OH/cm³ half-lives of 1h and 0.9 h, respectively can be calculated. These half-lives indicate that the substance entering the atmosphere will be very quickly photodegraded by reaction with OH radicals. Due to the very low vapor pressure and the substance under investigation will not be present in the gas phase in the atmosphere in appreciable amounts and therefore this elimination path will be only of minor importance.

Conclusions:
The photodegradation of imidazolium compounds in air by reaction with OH radicals was calculated using EPIWIN v4.0, AOPWIN v1.92. Based on the reaction rate constant k(OH)=127.6 x 10E-12 cm³/molecule x sec (cis isomer) and k(OH)=135.2 x 10E-12 cm³/molecule x sec (trans isomer) and assuming a OH radical concentration of 1.5E6 OH/cm³ half-lives of 1h and 0.9 h, respectively can be calculated. These half-lives indicate that the substance entering the atmosphere will be very quickly photodegraded by reaction with OH radicals. Due to the very low vapor pressure and the substance under investigation will not be present in the gas phase in the atmosphere in appreciable amounts and therefore this elimination path will be only of minor importance.
Executive summary:

The photodegradation of imidazolium compounds in air by reaction with OH radicals was calculated using EPIWIN v4.0, AOPWIN v1.92. Based on the reaction rate constant k(OH)=127.6 x 10E-12 cm³/molecule x sec (cis isomer) and k(OH)=135.2 x 10E-12 cm³/molecule x sec (trans isomer) and assuming a OH radical concentration of 1.5E6 OH/cm³ half-lives of 1h and 0.9 h, respectively can be calculated. These half-lives indicate that the substance entering the atmosphere will be very quickly photodegraded by reaction with OH radicals. Due to the very low vapor pressure and the substance under investigation will not be present in the gas phase in the atmosphere in appreciable amounts and therefore this elimination path will be only of minor importance.

Endpoint:
phototransformation in air
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Principles of method if other than guideline:
The photodegradation of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates in air by reaction with ozone was calculated using EPIWIN v3.20, AOPWIN v1.92.
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of ozone: 7 x 10E11 molecules/cm³
- Degradation rate constant: cis isomer: 13.0 x 10E-17 cm³/molecule x sec
trans isomer: 20.0 x 10E-17 cm³/molecule x sec
- Temperature for which rate constant was calculated: 25°C
- Computer programme: EPIWIN v3.20, AOPWIN v1.92
Test performance:
The photodegradation of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates in air by reaction with ozone was calculated using EPIWIN v3.20, AOPWIN v1.92.
Key result
% Degr.:
50
Sampling time:
2.12 h
Test condition:
25°C
Key result
% Degr.:
50
Sampling time:
1.38 h
Test condition:
25°C

The photodegradation of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates in air by reaction with ozone was calculated using EPIWIN v3.20, AOPWIN v1.92. Based on the reaction rate constant k(O3)=13.0 x 10E-17 cm³/molecule x sec (cis isomer) and k(O3)=20.0 x 10E-17 cm³/molecule x sec (trans isomer) and assuming a ozone concentration of 7 x 10E11 molecules/cm³ half-lives of 2.116 and 1.375 h, respectively can be calculated. These half-lives indicate that the substance entering the atmosphere will be very quickly photodegraded by reaction with ozone. Due to the very low vapor pressure and the very low Henry's Law Constant the substance under investigation will not be present in the gas phase in the atmosphere in appreciable amounts and therefore this elimination path will be only of minor importance.

Conclusions:
The photodegradation of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates in air by reaction with ozone was calculated using EPIWIN v3.20, AOPWIN v1.92. Based on the reaction rate constant k(O3)=13.0 x 10E-17 cm³/molecule x sec (cis isomer) and k(O3)=20.0 x 10E-17 cm³/molecule x sec (trans isomer) and assuming a ozone concentration of 7 x 10E11 molecules/cm³ half-lives of 2.116 and 1.375 h, respectively can be calculated. These half-lives would indicate that the substance entering the atmosphere will be very quickly photodegraded by reaction with ozone. Due to the very low vapor pressure and the very low Henry's Law Constant the substance under investigation will not be present in the gas phase in the atmosphere in appreciable amounts and therefore this elimination path will be only of minor importance.
Executive summary:

The photodegradation of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates in air by reaction with ozone was calculated using EPIWIN v3.20, AOPWIN v1.92. Based on the reaction rate constant k(O3)=13.0 x 10E-17 cm³/molecule x sec (cis isomer) and k(O3)=20.0 x 10E-17 cm³/molecule x sec (trans isomer) and assuming a ozone concentration of 7 x 10E11 molecules/cm³ half-lives of 2.116 and 1.375 h, respectively can be calculated. These half-lives indicate that the substance entering the atmosphere will be very quickly photodegraded by reaction with ozone. Due to the very low vapor pressure and the very low Henry's Law Constant the substance under investigation will not be present in the gas phase in the atmosphere in appreciable amounts and therefore this elimination path will be only of minor importance.

Endpoint:
phototransformation in air
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Principles of method if other than guideline:
The photodegradation of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates in air by reaction with OH radicals was calculated using EPIWIN v3.20, AOPWIN v1.92.
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 5 x 10E5 radicals/cm³ (24-h day)
- Degradation rate constant: cis isomer: 130.3170 x 10E-12 cm³/molecule x sec
trans isomer: 137.9170 x 10E-12 cm³/molecule x sec
- Temperature for which rate constant was calculated: 25°C
- Computer programme: EPIWIN v3.20, AOPWIN v1.92
Test performance:
The photodegradation of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates in air by reaction with OH radicals was calculated using EPIWIN v3.20, AOPWIN v1.92.
Key result
% Degr.:
50
Sampling time:
2.96 h
Test condition:
25°C
% Degr.:
50
Sampling time:
2.79 h
Test condition:
25°C

The photodegradation of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates in air by reaction with OH radicals was calculated using EPIWIN v3.20, AOPWIN v1.92. Based on the reaction rate constant k(OH)=130 x 10E-12 cm³/molecule x sec (cis isomer) and k(OH)=137 x 10E-12 cm³/molecule x sec (trans isomer) and assuming a OH radical concentration of 5 x 10E5 radicals/cm³ half-lives of 2.96 and 2.79 h, respectively can be calculated. These half-lives indicate that the substance entering the atmosphere will be very quickly photodegraded by reaction with OH radicals. Due to the very low vapor pressure and the very low Henry's Law Constant the substance under investigation will not be present in the gas phase in the atmosphere in appreciable amounts and therefore this elimination path will be only of minor importance.

Conclusions:
The photodegradation of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates in air by reaction with OH radicals was calculated using EPIWIN v3.20, AOPWIN v1.92. Based on the reaction rate constant k(OH)=130 x 10E-12 cm³/molecule x sec (cis isomer) and k(OH)=137 x 10E-12 cm³/molecule x sec (trans isomer) and assuming a OH radical concentration of 5 x 10E5 radicals/cm³ half-lives of 2.96 and 2.79 h, respectively can be calculated. These half-lives indicate that the substance entering the atmosphere will be very quickly photodegraded by reaction with OH radicals. Due to the very low vapor pressure and the very low Henry's Law Constant the substance under investigation will not be present in the gas phase in the atmosphere in appreciable amounts and therefore this elimination path will be only of minor importance.
Executive summary:

The photodegradation of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates by reaction with OH radicals was calculated using EPIWIN v3.20, AOPWIN v1.92. Based on the reaction rate constant k(OH)=130 x 10E-12 cm³/molecule x sec (cis isomer) and k(OH)=137 x 10E-12 cm³/molecule x sec (trans isomer) and assuming a OH radical concentration of 5 x 10E5 radicals/cm³ half-livs of 2.96 and 2.79 h, respectively can be calculated. These half-lives indicate that the substance entering the atmosphere will be very quickly photodegraded by reaction with OH radicals. Due to the very low vapor pressure and the very low Henry's Law Constant the substance under investigation will not be present in the gas phase in the atmosphere in appreciable amounts and therefore this elimination path will be only of minor importance.

Description of key information

Key value for chemical safety assessment

Additional information

The photodegradation of oleic-acid IQAC in air by reaction with OH radicals was calculated using EPIWIN v3.20, AOPWIN v1.92. Based on the reaction rate constant k(OH) =130 x 10E-12 cm³/molecule x sec (cis isomer) and k(OH) =137 x 10E-12 cm³/molecule x sec (trans isomer) and assuming a OH radical concentration of 5 x 10E5 radicals/cm³ half-lives of 2.96 and 2.79 h, respectively can be calculated.

The photodegradation of Oleic-acid based IQAC, DMS quaternised in air by reaction with ozone was also calculated using EPIWIN v3.20, AOPWIN v1.92. Based on the reaction rate constant k(O3) =13.0 x 10E-17 cm³/molecule x sec (cis isomer) and k(O3) =20.0 x 10E-17 cm³/molecule x sec (trans isomer) and assuming a ozone concentration of 7 x 10E11 molecules/cm³ half-lives of 2.116 and 1.375 h, respectively can be calculated.

These half-lives indicate that the substance entering the atmosphere will be very quickly photodegraded by reaction with OH radicals and ozone. Due to the very low vapour pressure and the very low Henry's Law Constant the substance under investigation will not be present in the gas phase in the atmosphere in appreciable amounts and therefore this elimination path will be only of minor importance.