1,1,2,3,3-pentafluoro-3-(heptafluoropropoxy)prop-1-ene

Surface tension

Administrative data

Endpoint:

surface tension

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because water solubility is below 1 mg/L at 20°C

Cross-reference

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

July 16, 2018 to July 23, 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

GLP compliance:

yes

Other quality assurance:

ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)

Type of method:

flask method

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Appearance: Clear, colorless liquid
- Source and lot/batch No.of test material: MA-3-HO-ANL1600356
- Storage condition of test material: in the dark under nitrogen away from moisture.
- Stability under test conditions: 81 days

Key result

Water solubility:

359 µg/L

Conc. based on:

test mat.

Remarks:

Sum of the n-propyl and isopropyl isomers of MTDID 50667.

Incubation duration:

3 d

Temp.:

23 °C

Remarks on result:

other: pH not measured

Details on results:

The water saturation equilibrium (maximal water solubility) value for MTDID 50667 was achieved after 1 day of incubation and was maintained over 3 days. The average water solubility of MTDID 50667 at Time point 1, 2, and 3 were 354 ng/mL (5% RSD), 374 ng/mL (7% RSD), and 348 ng/mL (15% RSD), respectively. The overall average water solubility was 359 ng/mL (RSD = 9.6%), equivalent to 359 µg/L.

The n-propyl and isopropyl isomers of MTDID 50667 were not chromatographically resolved during analysis, therefore, the result was reported as sum of the n-propyl and isopropyl isomers of MTDID 50667.

Table 1: Summary of MTDID 50667 water solubility (ng/mL) of at ambient temperature

 

Samples	Time point 1 (day 1)	Time point 2 (day 2)	Time point 3 (day 3)
Vial 1, Rep 1	372	393	289
Vial 1, Rep 2	362	388	292
Vial 1, Rep 3	334	393	279
Vial 1 Average (RSD%)	356 (5.5%)	391 (0.85%)	287 (2.3%)
Vial 2, Rep 1	358	399	380
Vial 2, Rep 2	385	393	377
Vial 2, Rep 3	356	377	NR(^1)
Vial 2 Average (RSD%)	366 (4.4%)	389 (2.9%)	379 (0.77%)^(2)
Vial 3, Rep 1	353	349	406
Vial 3, Rep 2	332	339	376
Vial 3, Rep 3	337	333	385
Vial 3 Average (RSD%)	341 (3.3%)	340 (2.5%)	389(3.9%)
Intra-day Average (ng/mL)	354	374	348
Intra-day RSD%	5.0% (N=9)	7.0% (N=9)	15% (N=8)
Overall Average (ng/mL)				359
Overall RSD %				9.6% (N= 26)

 

(1) NR=Not reported. Misinjection by the instrument. No internal standard peaks observed as well as no MTDID 50667 peak.
Vial likely leaked.
(2) Reported precision is relative percent difference (RPD) for duplicate measurements.

Conclusions:

Under the conditions of the study (average temperature 23°C), the average measured water solubility of MTDID 50667 in Milli-Q reagent water was 359 µg/L (RSD=9.6%).

Executive summary:

The water solubility of MTDID 50667 was determined using a modified shake flask technique and procedures described in OPPTS 830.7840 “Water Solubility: Column Elution Method; Shake Flask Method”.

Triplicate test vessels were prepared by adding 100 µL of MTDID 50667 test substance to the bottom of a 40 mL test vial pre- filled with water to zero-headspace. Samples were then incubated horizontally at approximately 30 °C with a shaker setting of 100 revolutions per minute (RPM) for three time points (1, 2, and 3 days). At the end of each time point, the vials were removed from the incubator, centrifuged, and then placed at room temperature (22.5 - 23.4 °C) overnight to equilibrate the sample temperature. The vials were centrifuged again prior to aliquoting for analysis. Four aliquot of aqueous phase were removed from each test vessel at each time point. Three aliquots of the sample were prepared for triplicate analysis of each test vessel. A fourth aliquot was prepared in a similar fashion and then spiked with a known amount of MTDID 50667 gas standard for analysis as a laboratory matrix spike. The samples were analyzed with purge/trap GC/MS.

The average water solubility of MTDID 50667 at Time point 1, 2, and 3 were 354 µg/L, 374 µg/L, and 348 µg/L, respectively. The overall average was 359 µg/L (RSD = 9.6%). This value represents the summed total of the n-propyl and isopropyl isomers of MTDID 50667.

This is a guideline study conducted under GLP. Therefore, it is considered reliable without restriction (Klimisch 1) and a key study.