Registration Dossier

Diss Factsheets

Administrative data

distribution modelling
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data derived by modeling for a structurally related substance.

Data source

Reference Type:
Report date:

Materials and methods

calculation according to Mackay, Level III
Calculation programme:
U.S. E.P.A. on-line modeling program, EPIWIN ver. 3.20.
other: air,wate,r soil, sediment

Test material

Constituent 1
Details on test material:
As per Vinyl neodecanoate IUCLID4 Data Set Sections 1.1 - 1.4.

Study design

Test substance input data:
SMILES notation, water solubility of 5.9 mg/L, vapor pressure 0.29 mm Hg, Henry Law Constant 0.0128 atm-m³/mole, Log Kow of 4.9, and boiling point 212 deg C. All these values have been experimentally derived.
Environmental properties:
Estimation from the fugacity level III model is provided using three separate emission scenarios: 1) equal emissions with continuous 1000 kg/hr releases to each compartment (air, water and soil), 2) 1000 kg/hr release to air compartment only and, 3) 1000 kg/hr release to water compartment only.

Results and discussion

Percent distribution in media

Air (%):
Water (%):
Soil (%):
Other distribution results:
When releasted to air only, the distribution was as follows: Air - 94.5%, Water - 0.46%, Soil - 4.2%. Release to water only yielded the following distribution: Air - 0.772%, Water - 34.9%, Soil - 0.034%, Sediment - 64.3%. MacKay Fugacity Level II/III modeling of equal release perdicited distribution to soil of only 14%.

Applicant's summary and conclusion

When released to air, approximately 94.5% of vinyl neodecanoate is predicited to distribute to the air compartment. Therefore, it is anticipated that > 95% of vinyl neononanoate will distribute to the air. If released to the water compartment, approximately 99.2% of the vinyl neodecanoate is perdicited to distribute to the water/sediment compartment. However, due to waste management, little or know vinyl neodecanoate is anticipated to be released to water. Similar distribution patterns are anticipated for vinyl neononanoate.
Executive summary:

Based on MacKay Fugacity modeling for the structural analog vinyl neodecanoate, vinyl neononanote is predicited to distribute almost completely to the air compartment when released to the atmosphere. Release to water bodies is expected to result in near 100% retention of vinyl neononanote in the water/sidement compartment. However, waste management practices are designed to prevent vinyl neononaoate from being released to water bodies.