Registration Dossier

Administrative data

Endpoint:
phototransformation in air
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: MIGRATED DATA SET. Only secondary literature. (Data which was derived from an acceptable calculation method was taken from a IUCLID4 secondary data source without proof to be supplied as additional information.)

Data source

Reference
Reference Type:
other: IUCLID 4 data set entry
Title:
No information
Author:
USEPA
Year:
2007
Bibliographic source:
Estimations Programs Interface (EPI) Suite®, version 3.20.

Materials and methods

Principles of method if other than guideline:
MIGRATED DATA SET. Method: other (calculated)
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3-mercaptopropionic acid
EC Number:
203-537-0
EC Name:
3-mercaptopropionic acid
Cas Number:
107-96-0
Molecular formula:
C3H6O2S
IUPAC Name:
3-sulfanylpropanoic acid
Details on test material:
MIGRATED DATA SET. IUCLID4 Test substance: as prescribed by 1.1 - 1.4

Study design

Details on test conditions:
Sensitiser (for indirect photolysis): OH
Sensitiser concentration: 1500000 molecule/cm³

Results and discussion

Any other information on results incl. tables

------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS-------------------
Hydrogen Abstraction       =   9.8224 E-12 cm3/molecule-sec
Reaction with N, S and -OH =  33.0200 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 =   0.0000 E-12 cm3/molecule-sec
Addition to Fused Rings    =   0.0000 E-12 cm3/molecule-sec

   OVERALL OH Rate Constant =  42.8424 E-12 cm3/molecule-sec
   HALF-LIFE =     0.250 Days (12-hr day; 1.5E6 OH/cm3)
   HALF-LIFE =     2.996 Hrs
------------------- SUMMARY (AOP v1.91): OZONE REACTION
----------------------

               ******  NO OZONE REACTION ESTIMATION ******
               (ONLY Olefins and Acetylenes are Estimated)

Experimental Database:  NO Structure Matches
Fraction sorbed to airborne particulates (phi): 2.78E-005
(Junge,Mackay)
    Note: the sorbed fraction may be resistant to
atmospheric oxidation

Rate constant (for indirect photolysis): = 0.0000000000428424 cm³/(molecule*sec)
Degradation in % (for indirect photolysis): = 50  after 0.3 day(s)

Applicant's summary and conclusion