Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable method

Data source

Reference
Reference Type:
other: Mackay Level I calculation
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Model:
calculation according to Mackay, Level I
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)
EC Number:
255-217-5
EC Name:
Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)
Cas Number:
41098-56-0
Molecular formula:
C40H44N12O18S6.6Na
IUPAC Name:
hexasodium 2-{[4-(diethylamino)-6-({4-[(E)-2-(4-{[4-(diethylamino)-6-[(2,5-disulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl}amino)-1,3,5-triazin-2-yl]amino}benzene-1,4-disulfonate
Details on test material:
- Analytical purity: pure substance
- Chemical name: 1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-di

Study design

Test substance input data:
- Molar mass: 1305.12 g/mol (EPI Win)
- Data temperature: 25 °C (EPI Win)
- Water solubility: 400 g/m³ (CIBA-GEIGY 1989, category approach)
- Vapour pressure: 0.00001 Pa (EPI Win)
- log Pow: -3 (ACD calculation v12.00, minimum entered in calculation)
- Melting point: 349.85 °C (EPI Win)

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
100
Soil (%):
0
Sediment (%):
0
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion