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Environmental fate & pathways

Phototransformation in air

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Reference
Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification
Qualifier:
no guideline followed
Principles of method if other than guideline:
Modelling with AOPWIN v1.92
GLP compliance:
no
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5 E+06 OH/cm³
- Degradation rate constant: 14.2329 E-12 cm³/molecule*sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOP v1.92
- other: 24-h day
% Degr.:
50
Sampling time:
27 h
% Degr.:
50
Sampling time:
1.1 d
Validity criteria fulfilled:
not applicable
Conclusions:
The photodegradation half-life is ca. 27 hours.
Executive summary:

The degradation of 1,3 -butanediol in air by reaction with OH-radicals was estimated with the AOP programme (v1.92). Based on a 24 -h day with an OH radical concentration of 0.5 E06 OH/cm³ the overall OH rate constant was calculated to be 14.2329 E-12 cm³/molecule*sec, leading to a half-life of approx. 27 hours (equivalent to 1.1 days).

Description of key information

OH-radical rate constant: 14.2329 E-12 cm³/molecule*sec; half-life air: 27 h (24 -h day, 0.5 E06 OH/cm³; ECT, 2008).

Key value for chemical safety assessment

Additional information

The degradation of 1,3 -butanediol in air by reaction with OH-radicals was estimated with the AOP programme (v1.92). Based on a 24 -h day with an OH radical concentration of 0.5 E06 OH/cm³ the overall OH rate constant was calculated to be 14.2329 E-12 cm³/molecule*sec, leading to a half-life of approx. 27 hours (equivalent to 1.1 days) (ECT, 2008).