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EC number: 247-557-8 | CAS number: 26264-06-2
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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: Model considered valid by OECD
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- QSAR model, EPI Suite v 4.1/Aopwin v1.92
- GLP compliance:
- no
- Remarks:
- not applicable
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS - assumed reaction conditions used in model:
- Concentration of OH radicals:1.5E6 per cm3
- Temperature for which rate constant was calculated: 25C
- Computer programme: AOPWIN v1.92 - Light source:
- sunlight
- Preliminary study:
- Using the AOPWIN QSAR model, the photochemical degradation rate of Calcium dodecylbenzenesulphonate in the atmosphere is 32.4364 E-12 cm3/molecule-sec, with a resultant predicted half live of 3.957 Hrs ( 0.330 Days (12-hr day; 1.5E6 OH/cm3))
OVERALL OH Rate Constant = 32.4364 E-12 cm3/molecule-sec
HALF-LIFE = 0.330 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 3.957 Hrs - Reaction with:
- OH radicals
- Rate constant:
- 0 cm³ molecule-1 s-1
- Transformation products:
- no
- Results with reference substance:
- OVERALL OH Rate Constant = 32.4364 E-12 cm3/molecule-sec
HALF-LIFE = 0.330 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 3.957 Hrs
- Validity criteria fulfilled:
- yes
- Remarks:
- The photochemical degradation rate of Calcium dodecylbenzenesulphonate in the atmosphere is 32.4364 E-12 cm3/molecule-sec, with a resultant predicted half live of 3.957 Hrs ( 0.330 Days (12-hr day; 1.5E6 OH/cm3))
- Conclusions:
- Using the AOPWIN QSAR model, the photochemical degradation rate of Calcium dodecylbenzenesulphonate in the atmosphere is 32.4364 E-12 cm3/molecule-sec, with a resultant predicted half live of 3.957 Hrs ( 0.330 Days (12-hr day; 1.5E6 OH/cm3))
- Executive summary:
Using the AOPWIN QSAR model, the photochemical degradation rate of Calcium dodecylbenzenesulphonate in the atmosphere is 32.4364 E-12 cm3/molecule-sec, with a resultant predicted half live of 3.957 Hrs ( 0.330 Days (12-hr day; 1.5E6 OH/cm3))
Reference
Hydrogen Abstraction = 30.3647 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 0.0000 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec
**Addition to Aromatic Rings = 2.0717 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 32.4364 E-12 cm3/molecule-sec
HALF-LIFE = 0.330 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 3.957 Hrs
Description of key information
Using the AOPWIN QSAR model, the photochemical degradation rate of Calcium dodecylbenzenesulphonate in the atmosphere is 32.4364 E-12 cm3/molecule-sec, with a resultant predicted half live of 3.957 Hrs ( 0.330 Days (12-hr day; 1.5E6 OH/cm3))
If released to air, a vapor pressure of 4.18E-021 mm Hg at 25 deg C (4.18E-021 mm Hg is equivalent to vapour pressure of 5.57E-019 Pa) indicates significant amounts of Calcium dodecylbenzenesulphonate are unlikely to be present in the atmosphere for photodegradation and therefore Calcium dodecylbenzenesulphonate is not expected to be susceptible to direct photolysis by sunlight.
Key value for chemical safety assessment
- Half-life in air:
- 0.33 d
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
Using the AOPWIN QSAR model, the photochemical degradation rate of Calcium dodecylbenzenesulphonate in the atmosphere is 32.4364 E-12 cm3/molecule-sec, with a resultant predicted half live of 3.957 Hrs ( 0.330 Days (12-hr day; 1.5E6 OH/cm3))
OVERALL OH Rate Constant = 32.4364 E-12 cm3/molecule-sec
HALF-LIFE = 0.330 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 3.957 Hrs
Calcium dodecylbenzenesulphonate has low vapor pressure (5.57E-019at 25C) indicating significant amounts of Calcium dodecylbenzenesulphonate are unlikely to be present in the atmosphere for photodegradation.
The estimated half-life is about 3.957 hours (32.4364 E-12 cm3/molecule-sec) with the AOPWIN (US EPA, 2011).
If released to air, a vapor pressure of 4.18E-021 mm Hg at 25 deg C (4.18E-021 mm Hg is equivalent to vapour pressure of 5.57E-019 Pa) indicates significant amounts of Calcium dodecylbenzenesulphonate are unlikely to be present in the atmosphere for photodegradation and therefore Calcium dodecylbenzenesulphonate is not expected to be susceptible to direct photolysis by sunlight.
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