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Diss Factsheets

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
other: Unpublished calculation
Title:
Unnamed
Year:
2008
Report date:
2008

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Mackay Level I V 3.00 Model
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Isobutyl acrylate
EC Number:
203-417-8
EC Name:
Isobutyl acrylate
Cas Number:
106-63-8
Molecular formula:
C7H12O2
IUPAC Name:
isobutyl acrylate

Study design

Test substance input data:
- Molar mass: 128.17 g/mol [1]
- Data temperature: 25 °C
- Water solubility: 1800 g/m³ [2]
- Vapour pressure: 958 Pa [3]
- log Pow: 2.38 [4]
- Melting point: -61 °C [5]

[1]: BASF SE (2008). Department of Product Safety, data assessment, unpublished calculation, SRC EPIWIN v3.12, 26 Feb 2008.
[2]: Penzel, E (2000) Polyacrylates. published online in Ullmann's Encyclopedia of Industrial Chemistry Copyright © 2008 by John Wiley & Sons, Inc
[3]: BASF AG (1974) Technisache Entwicklung Verfahrenstechnik, TET - L 540, report No. 8-505, 19 Jul 1974
[4]: BASF AG (1988) Bestimmung des Verteilungskoeffizienten ZSA/P - M 325. 131722/02. 25 Aug 1988
[5]: CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL (1995-1996)., p. 3-291. cited by HSDB 21 Sep 2006

Results and discussion

Percent distribution in media

Air (%):
95.78
Water (%):
4.06
Soil (%):
0.08
Sediment (%):
0.08
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Table: Phase properties and composition

Volume

Density

org. C

fish lipid

(m³)

[kg/m³]

[g/g]

[g/g]

Air

6.0E+09

1.185

-

-

Water

7.0E+06

1000

-

-

Soil

45000

1500

0.02

-

Sediment

21000

1300

0.05

-

susp. Sed.

35

1500

0.167

-

Fish

7

1000

-

0.05

Aerosol

0.12

1500

-

-

Applicant's summary and conclusion