2,3,3,4,4-pentafluoro-5-methoxy-2,5-bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]tetrahydrofuran

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2013-03-13 to 2013-04-04

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)

GLP compliance:

yes

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane

EC Number:

812-244-2

Cas Number:

957209-18-6

Molecular formula:

C11H3F19O2

IUPAC Name:

2,3,3,4,4-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane

Specific details on test material used for the study:

- Name of substance as used in the study: L-21343
- Source and lot/batch No.of test material: 161255-76
- Purity: 99.87% sum of (2) isomers
- Expiration date of the lot/batch:9/24/2014

Study design

Analytical method:

gas chromatography

mass spectrometry

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

6.6

Temp.:

24 °C

Remarks on result:

other: pH not reported

Details on results:

The determined log Kow values ranged from 6.5 to 6.7 for all six samples. The average log Kow value was 6.6, 6.7, and 6.6 for all the 1:1, 1:2 and 2:1 octanol: water ratio. The overall average log Kow was 6.6, and overall RSD% was 1.3%.

Any other information on results incl. tables

Table 1: Summary of n-Octanol/Water Partition Coefficient Log(Kow) for NOVEC 7700

Ratio (n-Octanol: Aqueous)	Replicate	NOVEC 7700 in water phase (ng/mL) ^(1)	NOVEC 7700 in octanol phase (ng/mL) ^(1)	Kow	log Kow	Average log Kow (RPD%)
1:1	1	0.243	874000	3600000	6.6	6.6 (1.5)
1:1	2	0.207	941000	4550000	6.7
1:2	1	0.175	883000	5050000	6.7	6.7 (1.0)
1:2	2	0.206	886000	4300000	6.6
2:1	1	0.181	918000	5070000	6.7	6.6 (3.5)
2:1	2	0.301	902000	3000000	6.5
Overall Average					6.6
Overall RSD%					1.3

  (1) average of duplicate aliquot

 

Applicant's summary and conclusion

Conclusions:

Log Kow of NOVEC 7700 was measured to be 6.6 at 24 °C under the condition of this study.

Executive summary:

The n-Octanol/Water Partition Coefficient (log Kow) of NOVEC 7700 was determined according to U.S EPA guidance document OPPTS 830.7550 "Partition Coefficient (n-Octanol/Water), Shake Flask Method". Duplicate samples of NOVEC 7700 were prepared in each of the three octanol/water ratios (1:1, 2:1, and 1:2). The six samples were rotated 180 ° about their transverse axis for 100 rotations over a period of five minutes to ensure proper mixing of the test system solvents. The samples were then centrifuged at 1500 RPM for 60 minutes, and the aqueous and n-octanol phases were carefully removed. For each test vial, duplicate aliquot of water and n-octanol phase were diluted and analyzed using GC/MS. The determined log Kow values ranged from 6.5 to 6.7 for all six samples. The overall average log Kow was 6.6, and overall RSD% was 1.3%. This is a guideline study conducted under GLP compliance. Therefore, it is considered reliable without restrictions.