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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: Accepted, well-documented calculation method

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Fugacity level III model within the program US EPA EPI Suite v4.11 (US EPA 2012. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11; United States Environmental Protection Agency, Washington, DC, US). The model within EPI Suite is a direct adaption of the methodology of Mackay (Mackay et al 1996 and Mackay 1991).
Release year:
2 012
Media:
other: air-sediment-soil-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Isopropylnaphthalene
EC Number:
249-535-3
EC Name:
Isopropylnaphthalene
Cas Number:
29253-36-9
Molecular formula:
C13H14
IUPAC Name:
1-(propan-2-yl)naphthalene; 2-(propan-2-yl)naphthalene
Details on test material:
- Name of test material (as cited in study report): Isopropylnaphthalene, Naphthalene, (1-methylethyl)-

Study design

Test substance input data:
Molecular Wt: 170.26
Henry's LC : 0.00145 atm-m3/mole (calc. VP/WS)
Vapour Press : 0.0182 mm Hg (user entered, measured)
Log Kow : 4.63 (Kow win program)
Soil Koc : 7.54e+003 (KOCWIN MCI method)

Results and discussion

Percent distribution in media

Air (%):
0.379
Water (%):
9.26
Soil (%):
86.3
Sediment (%):
4.04

Any other information on results incl. tables

Persistence Time:       921 hr

Reaction Time:            1050 hr

Advection Time:         7620 hr

Percent Reacted:         87.9

Percent Advected:       12.1

 

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

Air:                      4.798

Water:                   900

Soil:                     1800

Sediment:          8100

Biowin estimate: 2.748 (weeks-month)

 

Advection Times (hr):

Air:                100

Water:            1000

Sediment:     5e+004

Applicant's summary and conclusion

Conclusions:
(1-Methlyethyl)-1,1'-biphenyl will predominantly be distributed in soil (ca. 80%). Much lesser percentages are present in sediment and water (ca. 11% and ca. 8% respectively). Fraction in air is minor (2.4%).