3-ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)-hexane

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

weight of evidence

Study period:

2002

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Insufficient study details

Data source

Reference

Reference Type:

publication

Title:

Predicted Distribution and Ecological Risk Assessment of a "Segregated" Hydrofluoroether in the Japanese Environment

Author:

Newsted, J. L., Nakanishi, J., Cousins, I., Werner, K., Giesy, J. P.

Year:

2002

Bibliographic source:

Environ. Sci. Technol. Vol. 36, No. 22, pp. 4761-4769

Report date:

2002

Materials and methods

Model:

other: Higashino model: H. Higashino, et al. 2000. J. Jpn. Soc. Atmos. Environ. Vol. 35, pp. 215-228. ChemCan model (MacKay, Level III) reparameterized for nation of Japan

Calculation programme:

ChemCan 4.0
The Higashino model is formulated for the Kanto plain, Japan. The analytical domain has 40 x 60 grids, each equal to a 5-km square.

Media:

air - biota - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

435-790-1

EC Name:

-

Cas Number:

297730-93-9

Molecular formula:

C9H5F15O

IUPAC Name:

3-ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane

Details on test material:

- Name of test material (as cited in study report: HFE-7500, C7F15OC2H5, CAS# 297730-93-9
-Analytical purity: >99%

Study design

Test substance input data:

- Molar mass: 414
- Water solubility: 13.3 µg/L @ 22 °C
- Vapour pressure: 1000 Pa @ 20 °C
- log Pow: 4.9
- log Koc: 4.9
- Melting point: pour point -100 °C
- Henry’s law constant: 3.1E+07 Pa m3/mol
- BCF: 8544
- Reaction half-life estimates for
- Air: 1.5E+04 hours, no other reactions considered

Environmental properties:

Site-specific semiempirical model (see below)

Results and discussion

Percent distribution in media

Other distribution results:

Percent distribution not reported. Average monthly air concentration (all grids), 1.54-1.74 ng/m3. Maximum annual average air concentration (each grid), 16.4 ng/m3. Maximum surface water concentration, 5.13E-04 ng/L

Any other information on results incl. tables

TABLE 1, Maximum, Mean, and Minimum Atmospheric Levels of HFE-7500 for All Grids in the Kanto Plain, Japan (ng/m3)
Month	maximum	mean	minimum
January	16.3	1.74	1.90 x 10-4
February	13.7	1.58	1.48 x 10-4
March	14.3	1.57	2.69 x 10-3
April	15.9	1.62	2.36 x 10-3
May	16.8	1.54	6.83 x 10-3
June	17.3	1.58	1.35 x 10-2
July	17.4	1.57	5.85 x 10-3
August	18.7	1.62	1.86 x 10-3
September	17.8	1.58	1.85 x 10-3
October	17.7	1.74	4.07 x 10-4
November	16.0	1.61	5.76 x 10-4
December	16.8	1.72	1.70 x 10-4

 

Applicant's summary and conclusion

Conclusions:

CAS# 297730-93-9 is expected to be overwhelmingly present in the air phase on release.

Executive summary:

Distribution of CAS# 297730-93-9 in a specific Japanese region was modeled using an atmospheric transport model validated for that region coupled to a Mackay type III fugacity model (ChemCan v.4.0). The atmospheric transport model was validated using monitoring data for trichloroethylene. The model assumes direct atmospheric release of 42,000 kg/yr CAS# 297730-93-9 within in the region. The maximum predicted annual average concentration of CAS# 297730-93-9 in the region modeled was 16.4 ng/m3. The corresponding maximum surface water concentration, after inclusion of an uncertainty factor of 100, was 5.13 x 10-4 ng/L. CAS# 297730-93-9 is expected to be overwhelmingly present in the air phase on release.

Details of the atmospheric transportation model are not available, and the input parameter of the coupled fugacity model are not provided. The conclusions of the study are likely to be correct based on the known volatility of CAS# 297730-93-9. However, the reliability of this study cannot be addressed at this time