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Environmental fate & pathways

Phototransformation in air

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Administrative data

Endpoint:
phototransformation in air
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method

Data source

Reference
Reference Type:
other: EPI suite calculation
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Principles of method if other than guideline:
other: Calculation with AOPWIN v1.92, part of Episuite Software
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
cis-1,4-dichlorobut-2-ene
EC Number:
216-021-5
EC Name:
cis-1,4-dichlorobut-2-ene
Cas Number:
1476-11-5
IUPAC Name:
1,4-dichlorobut-2-ene
Details on test material:
- Name of test material (as cited in study report): 2-Butene, 1,4-dichloro- (Cis-isomer)
- Purity: calculation refers to the pure substance

Study design

Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Calculation program: SRC AOPWIN v1.92
- Calculation based on a 24-hour day
- Concentration of OH radicals: 500000 OH/cm³
- OVERALL OH rate constant: 33.2865 E-12 cm³/mol-sec
- Temperature for which rate constant was calculated: 25 °C
Details on test conditions:
Sensitiser (for indirect photolysis): OH
Sensitiser concentration: 500000 molecule/cm³

Results and discussion

Dissipation half-life of parent compound
DT50:
11.568 h
Test condition:
OH reaction, 25 °C, 24 h day, 0.5E6 OH/cm³

Applicant's summary and conclusion