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Diss Factsheets

Administrative data

Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
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other: unpublished calculation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:
Unnamed
Year:
2007

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Henry's Law Constant of di-(2-ethylhexyl)carbonate was calculated using EPIWIN v3.20, HENRYWIN v3.10.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Bis(2-ethylhexyl) carbonate
EC Number:
238-925-9
EC Name:
Bis(2-ethylhexyl) carbonate
Cas Number:
14858-73-2
Molecular formula:
C17H34O3
IUPAC Name:
bis(2-ethylhexyl) carbonate

Results and discussion

Henry's Law constant Hopen allclose all
H:
0.033 atm m³/mol
Temp.:
25 °C
H:
3 322.6 Pa m³/mol
Temp.:
25 °C

Any other information on results incl. tables

Henry's Law Constant of Bis(2-ethylhexyl) carbonate was calculated using EPIWIN v3.20, HENRYWIN v3.10 (bond method). The calculation yielded a very high value: H=0.0328 atm x m³/mole corresponding to H=3322.6 Pa x m³/mole at 25°C . This result indicates that Bis(2-ethylhexyl) carbonate would be highly volatile from aqueous solution. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care.

Applicant's summary and conclusion

Conclusions:
Henry's Law Constant of Bis(2-ethylhexyl) carbonate was calculated using EPIWIN v3.20, HENRYWIN v3.10 (bond method). The calculation yielded a very high value: H=0.0328 atm x m³/mole corresponding to H=3322.6 Pa x m³/mole at 25°C . This result indicates that Bis(2-ethylhexyl) carbonate would be highly volatile from aqueous solution. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care.