reaction mass of mixed (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) phosphates, ammonium salt

Henry's Law constant

Administrative data

Endpoint:

Henry's law constant

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Acceptable calculation method using measured physical chemical properties. This study was selected as the key study because the information provided for the hazard endpoint is sufficient for the purpose of classification and labelling and/or risk assessment.

Data source

Reference

Reference Type:

other: REACH Guidance

Title:

Unnamed

Year:

2008

Materials and methods

Principles of method if other than guideline:

Henry's Law constants were calculated for TNS using EQUATION R.16-10 (Henry = (VP*MW)/Solubility) in the REACH guidance R.16.4.3.2. A measured vapour pressure (VP) of 1.07 Pa was used to calculate HLC for all three species. Water-solubility values (Solubility) used in the HCL calculations were 2.4, 0.103, and 0.026 g/L, respectively, for the mono-, bis-, and pyro- species. Molecular weights (MW) used to calculate HLC are those of the dissociated ion (444.09, 790.18, 870.16 g/mol, for the mono-, bis-, and pyro- species, respectively).

GLP compliance:

no

Test material

Test material information

Constituent 1

Results and discussion

Henry's Law constant H

Henry's Law constant H 1

H:

0.2 other: Pa-m3/mole (mono- species)

Henry's Law constant H 2

H:

8.21 other: Pa-m3/mole (bis- species)

Henry's Law constant H 3

H:

35.8 other: Pa-m3/mole (pyro- species)

Any other information on results incl. tables

Calculated Henry Law Constants (HLC) for the mono-, bis-, and pyro- species are 1.948E-006, 8.075E-005, and 3.523E-004 atm-m3/mole, respectively.

Applicant's summary and conclusion

Conclusions:

A Level III fugacity model (EPI SUITE v4.00) indicate the test substance will partition predominately to soil (41 to 54%) and water (45 to 58%) with little partitioning to air (0.61 to 2.0%) and sediment (<1%). The study and the conclusions which are drawn from it fulfill the quality criteria (validity, reliability, repeatability).

Executive summary:

Henry's Law constants were calculated for TNS from measured vapour pressure (8E-003 mm Hg or 1.07 Pa) used for all three species for which HLC was calculated) and solubility values (2.4, 0.103, and 0.026 g/L, for the mono-, bis-, and pyro- species) and molecular weight (444.09, 790.18,870.16 g/mol, for the mono-, bis-, and pyro- species)) using EQUATION R.16-10 (Henry = (VP*MW)/Solubility) in the REACH guidance R.16. Calculated Henry Law Constants (HLC) for the mono-, bis-, and pyro- species are 0.20, 8.21, and 35.8 Pa-m3/mole, respectively. 

A Level III fugacity model (EPI SUITE v4.00) with user entered values for vapour pressure, water solubility, and Kow (-1.37, 0.35, and 0.20, respectively, for the mono-, bis-, and pyro- species) was used to describe the environmental distribution of the mon-. bis-, and pyro- species. The model assumed equal emission to air, water, and soil and used the log Kow-based soil Koc value from KOCWIN. This analysis indicates that the test substance will partition predominately to soil (41 to 54%) and water (45 to 58%) with little partitioning to air (0.61 to 2.0%) and sediment (<1%). One or more of the components are expected to have a high to very high mobility to ground water if emitted to soil.