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Diss Factsheets

Environmental fate & pathways

Phototransformation in air

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Administrative data

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Endpoint:
phototransformation in air
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non-GLP, non guideline, published in peer reviewed literature, acceptable with restrictions
Principles of method if other than guideline:
Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals. The author applied a least squares analysis of degradation rate constants to calculate a preferred value.
GLP compliance:
no
Remarks:
No data reported
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material:
No data reported
Estimation method (if used):
No data reported
Light source:
not specified
Details on light source:
No data reported
Details on test conditions:
No data reported
Preliminary study:
No data reported
Test performance:
No data reported
DT50:
0.24 d
Test condition:
Based on a rate constant of 6.68E-11 cm3 molecule-1sec-1 with OH radicals
Results with reference substance:
No data reported

Author reports a recommended rate constant of 6.68E-11 cm3 molecule-1sec-1. Half life is calculated based on this rate constant and a hydroxyl radical concentration of 5E5 molecule.cm-3

Conclusions:
The estimated half life of the constituent is 0.24 days based on a recommended reaction rate with hydroxyl radicals and the concentration of hydroxyl radicals recommended in the Technical Guidance Document (2003).
Executive summary:

Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals. Therefore, this value represents a valid rate constant for 1,3-butadiene based on all valid studies at the time of publication.

Endpoint:
phototransformation in air
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non-GLP, information from a review article, acceptable with restrictions
Principles of method if other than guideline:
Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals. The author applied a least squares analysis of degradation rate constants for organic chemicals by hydroxyl radicals developed by other investigators.
GLP compliance:
not specified
Remarks:
No data reported
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material:
No data reported
Estimation method (if used):
No data reported
Light source:
other: No data reported
Details on light source:
No data reported
Details on test conditions:
No data reported
Preliminary study:
No data reported
Test performance:
No data reported
DT50:
0.5 d
Test condition:
No further details
Results with reference substance:
No data reported

Based on a calculated rate constant of 3.14E-11 cm3molecule-1sec-1, and a hydroxyl radical concentration of 5E5 molecule.cm-3.

Validity criteria fulfilled:
not applicable
Remarks:
Review article
Conclusions:
The half-life of the constituent is 0.5 days
Executive summary:

The half-life of But-1 -ene is 0.5 days. Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals. Therefore, this value represents a valid rate constant for But-1-ene based on all valid studies at the time of publication.

Endpoint:
phototransformation in air
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non-GLP, information from a review article, acceptable with restrictions
Principles of method if other than guideline:
Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals. The author applied a least squares analysis of degradation rate constants for organic chemicals by hydroxyl radicals developed by other investigators.
GLP compliance:
not specified
Remarks:
No data reported
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material:
No data reported
Estimation method (if used):
No data reported
Light source:
other: No data reported
Details on light source:
No data reported
Details on test conditions:
No data reported
Preliminary study:
No data reported
Test performance:
No data reported
DT50:
0.31 d
Test condition:
No further details
Results with reference substance:
No data reported

Based on a calculated rate constant of 5.14E-11 cm3molecule-1sec-1, and a hydroxyl radical concentration of 5E5 molecule.cm-3.

Validity criteria fulfilled:
not applicable
Remarks:
Review article
Conclusions:
The half-life of the constituent is 0.31 days.
Executive summary:

The half-life of Prop-1 -ene, 2 -methyl- is 0.31 days. Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals. Therefore, this value represents a valid rate constant for Prop-1 -ene, 2 -methyl- based on all valid studies at the time of publication.

Endpoint:
phototransformation in air
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non-GLP, information from a review article, acceptable with restrictions
Principles of method if other than guideline:
Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals. The author applied a least squares analysis of degradation rate constants for organic chemicals by hydroxyl radicals developed by other investigators.
GLP compliance:
not specified
Remarks:
No data reported
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material:
No data reported
Estimation method (if used):
No data reported
Light source:
other: No data reported
Details on light source:
No data reported
Details on test conditions:
No data reported
Preliminary study:
No data reported
Test performance:
No data reported
DT50:
6.3 d
Test condition:
No further details
Results with reference substance:
No data reported

Based on a calculated rate constant of 2.53-12 cm3molecule-1sec-1, and a hydroxyl radical concentration of 5E5 molecule.cm-3.

Validity criteria fulfilled:
not applicable
Remarks:
Review article
Conclusions:
The half-life of the constituent is 6.3 days.
Executive summary:

The half-life of Butane is 6.3 days. Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals. Therefore, this value represents a valid rate constant for butane based on all valid studies at the time of publication.

Endpoint:
phototransformation in air
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non-GLP, non guideline, published in peer reviewed literature, acceptable with restrictions
Principles of method if other than guideline:
Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals. The author applied a least squares analysis of degradation rate constants to calculate a preferred value.
GLP compliance:
no
Remarks:
No data reported
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material:
No data reported
Estimation method (if used):
No data reported
Light source:
not specified
Details on light source:
No data reported
Details on test conditions:
No data reported
Preliminary study:
No data reported
Test performance:
No data reported
DT50:
3.2 d
Test condition:
Based on a rate constant of 1E-13 cm3 molecule-1sec-1 with NO3
Results with reference substance:
No data reported

Author reports a recommended rate constant of 1E-13 cm3 molecule-1sec-1. Half life is calculated based on this rate constant and a NO3 concentration of 2.5E7 molecule.cm-3

Conclusions:
The estimated half life of 1,3-butadiene is 3.2 days based on a recommended reaction rate with NO3 and the concentration of NO3 of 2.5E7 molecules/cm3 in clean air (as used in the EU RAR).
Executive summary:

Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals. Therefore, this value represents a valid rate constant for 1,3-butadiene based on all valid studies at the time of publication. The half life is longer than that reported in the EU RAR for buta-1,3 -diene as a more recent review was available by Atkinson that derived an updated rate constant.

Endpoint:
phototransformation in air
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non-GLP, non guideline, published in peer reviewed literature, acceptable with restrictions
Principles of method if other than guideline:
Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals.
GLP compliance:
no
Remarks:
No data reported
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material:
No data reported
Estimation method (if used):
No data reported
Light source:
not specified
Details on light source:
No data reported
Details on test conditions:
No data reported
Preliminary study:
No data reported
Test performance:
No data reported
DT50:
2 d
Test condition:
Based on a rate constant of 8.1E-18 cm3 molecule-1sec-1 with ozone
Results with reference substance:
No data reported

Author reports a recommended rate constant of 8.1E-18 cm3 molecule-1sec-1. Half life is calculated based on this rate constant and a ozone concentration of 5E11 molecule.cm-3

Conclusions:
The estimated half life of 1,3-butadiene is 2 days based on a recommended reaction rate with ozone and the concentration of ozone recommended by Howard et al (1991). Handbook of environmental degradation rates. Lewis Publishers Inc. for clean air.
Executive summary:

Measured data from author and other investigators were quality assessed and then used to develop rate constants for different chemicals. Therefore, this value represents a valid rate constant for 1,3-butadiene based on all valid studies at the time of publication.

Description of key information

The members of this category are gases at standard temperature and pressure and will predominantly partition to the atmosphere.


 


The representative constituents of the category studied and used as supporting read-across are Butane (CAS 106-97-8), But-1-ene (CAS 106-98-9), Buta-1,3-diene (CAS 106-99-0) and Prop-1-ene, 2-methyl- (CAS 115-11-7).


 


The results showed rate constants of the reaction of OH radicals to range from 2.53 E-12 cm3/mol/s to 6.68E-11cm3/mol/s, whereas the atmospheric half-life from 0.24 to 6.3 days. Therefore, the members of this category would not be persistent in the atmospheric compartment. All information came from Atkinson (1985), which is a review article with no data reported on the test methods or conditions of the original data source. Nevertheless, the data are taken from a published, peer-reviewed journal article and are considered to be suitable for this endpoint.

Key value for chemical safety assessment

Additional information