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Diss Factsheets

Administrative data

Endpoint:
other distribution data
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2011
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculation according to accepted formulas

Data source

Reference
Reference Type:
other: Other Company data : QSAR report
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Test guideline
Qualifier:
no guideline available
Deviations:
not applicable
Principles of method if other than guideline:
Accepted equation for calculation of octanol-air partition coefficient taken from Sepassi, K. and Yalkowsky, S. H. (2007) “Simplified Estimation of the Octanol-Air Partition Coefficient” Ind. Eng. Chem. Res., v46, 2220-2223.
GLP compliance:
no
Type of study:
volatility
Media:
air - biota

Test material

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
473-390-7
EC Name:
-
Cas Number:
1093615-61-2
Molecular formula:
C7F15NO
IUPAC Name:
2,2,3,3,5,5,6,6-octafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)morpholine; 2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine

Results and discussion

Any other information on results incl. tables

Koa of 29.6 calculated using the experimental octanol solubility of 32300 ug/mL and experimental vapor pressure of 50.6 mm Hg at 20 °C using the equation from Sepassi and Yalkowsky. The log Koa was 1.47.

Applicant's summary and conclusion

Conclusions:
Koa of 29.6 calculated using the experimental octanol solubility of 32300 ug/mL and experimental vapor pressure of 50.6 mm Hg at 20 °C using the equation from Sepassi and Yalkowsky. The log Koa was 1.47.
Executive summary:

The octanol and air partition coefficient (Koa) of FC-770 was calculated from the experimental octanol solubility of 32300 ug/mL and experimental vapor pressure of 50.6 mm Hg at 20 °C using the equation from Sepassi and Yalkowsky (Ind. Eng. Chem. Res., 2007, vol. 67, pp. 2220-2223). The resulting value was 29.6.The log Koa was 1.47.