Registration Dossier

Administrative data

Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculation is based on extrapolated vapor pressure and extrapolated water solubility (both based on experimental data with Klimisch ranking of 2).

Data source

Reference
Reference Type:
other: Calculation is based on extrapolated vapor pressure and extrapolated water solubility (both based on experimental data with Klimisch ranking of 2).
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other:
Deviations:
no
Principles of method if other than guideline:
The ratio of vapor pressure to water solubility multiplied by the molecular weight as per REACH guidance Chapter R.16: Environment Exposure Estimation, 24 Oct 2012.)
GLP compliance:
no
Remarks:
The ratio of vapor pressure to water solubility multiplied by the molecular weight as per REACH guidance Chapter R.16: Environment Exposure Estimation, 24 Oct 2012.

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
CAS No. 67584-55-8
SMILES: FC(F)(C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)N(C)CCOC(=O)C=C

Results and discussion

Henry's Law constant H
H:
49.6 Pa m³/mol
Temp.:
25 °C
Atm. press.:
101 325 Pa

Any other information on results incl. tables

water solubility = (2.1 mg/L)(1000L/m^3)(1 g/1000 mg) = 2.1 g/m^3

vapor pressure = (1.9E-03 mm Hg)(133.322 Pa/mm Hg) = 0.25 Pa

molecular weight = 411.24 g/mol

 

HLC = (0.25 Pa)(411.24g/mol) / (2.1g/m^3) = 49.6 Pa-m^3/mol

Applicant's summary and conclusion

Conclusions:
The calculated Henrys Law Constant for CAS No. 67584-55-8 at 25 °C is 49.6 Pa-m³/mol based on available experimental vapor pressure and water solubility which was corrected for temperature.
Executive summary:

The Henry’s Law constant (HLC) for C4-acrylate was calculated from water solubility and experimental vapor pressure data reported in the key studies for each endpoint. The water solubility was corrected for temperature variation and the resulting HLC was calculated to be 49.6 Pa-m³/mol at 25 °C and is considered reliable based on the reliability on the experimental values provided. Based on this value, the test substance is not expected to remain in aqueous solution in open systems.