N-butylphosphorothioic triamide

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Title:

No information

Author:

Anonymous

Year:

2013

Bibliographic source:

Episuite data (Epiweb v4.1)

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

Epiweb 4.1

Release year:

2 013

Media:

other: air-water-soil-sediment

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

435-740-7

EC Name:

-

Cas Number:

94317-64-3

Molecular formula:

C4H14N3PS

IUPAC Name:

Phosphorothioic triamide, N-butyl-

Results and discussion

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

=======================================

Chem Name : Phosphorothioic triamide, butyl-

Molecular Wt: 167.21

Henry's LC : 1.51e-010 atm-m3/mole (Henrywin program)

Vapor Press : 0.0127 mm Hg (Mpbpwin program)

Log Kow : -0.32 (Kowwin program)

Soil Koc : 22.1 (KOCWIN MCI method)

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00286 0.427 1000

Water 26.6 360 1000

Soil 73.4 720 1000

Sediment 0.0732 3.24e+003 0

Fugacity Reaction Advection Reaction Advection

(atm) (kg/hr) (kg/hr) (percent) (percent)

Air 8.2e-014 91 0.561 3.03 0.0187

Water 2.35e-015 1e+003 521 33.4 17.4

Soil 8.69e-014 1.38e+003 0 46.1 0

Sediment 2.12e-015 0.307 0.0287 0.0102 0.000957

Persistence Time: 654 hr

Reaction Time: 791 hr

Advection Time: 3.76e+003 hr

Percent Reacted: 82.6

Percent Advected: 17.4

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

Air: 0.4274

Water: 360

Soil: 720

Sediment: 3240

Biowin estimate: 3.128 (weeks )

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004