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:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: no information available whether the calculation model is validated for the substance under investigation

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
Determination of physico-chemical properties and environmental fate using EPIWIN v3.20.
Author:
CFCS
Year:
2007

Materials and methods

Principles of method if other than guideline:
Henry's Law constant was calculated for butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt using EPIWIN v3.20, HENRYWIN v3.10.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent

Results and discussion

Any other information on results incl. tables

The estimation of Henry's Law constant using EPIWIN v3.20, HENRYWIN v3.10 (bond method) yielded a value of 5.02 x 10E-12 atm x m³/mol which corresponds to 5.09 x 10E-7 Pa x m³/mol (25°C). The calculation of Henry's Law constant for butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt based on estimated water solubility and vapor pressure according to the equation H=vp/ws gave a value of 1.17 x 10E-13 atm x m³/mol (1.2 x 10E-8 Pa x m³/mol). These values would indicate that the substance can be regarded as non-volatile from aqueous solution. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the result and the conclusion thereoff should be treated with care.

Applicant's summary and conclusion

Conclusions:
Henry's Law constant was calculated for butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt using EPIWIN v3.20, HENRYWIN v3.10 (bond method). The estimation yielded a value of 5.02 x 10E-12 atm x m³/mol which corresponds to 5.09 x 10E-7 Pa x m³/mol (25°C). The calculation of Henry's Law constant based on estimated water solubility and vapor pressure according to the equation H=vp/ws gave a value of 1.172 x 10E-13 atm x m³/mol (1.2 x 10E-8 Pa x m³/mol). These values would indicate that the substance can be regarded as non-volatile from aqueous solution. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the result and the conclusion thereoff should be treated with care.