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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
Study period:
February 1995
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Internationally accepted method, EPI Suite, EPA (USA)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1995
Report date:
1995

Materials and methods

Principles of method if other than guideline:
Estimates of the Henry's constants of the major components of the test substance were made by use of the HENRY program (Syracuse Research Corporation, New York). This is a fragment-addition method based on the method of Hine.
GLP compliance:
yes (incl. QA statement)

Test material

Constituent 1
Chemical structure
Reference substance name:
2,4,6-tri-tert-butylphenol; 2,6-di-tert-butylphenol
EC Number:
907-745-9
Molecular formula:
Not applicable - Multiconstituent substance
IUPAC Name:
2,4,6-tri-tert-butylphenol; 2,6-di-tert-butylphenol

Results and discussion

Henry's Law constant H
H:
0.3 Pa m³/mol
Remarks on result:
other: No data on temperature and atm.press.

Any other information on results incl. tables

Di-substituted t-butyl phenols : 0.3 Pa m3 mol-1

Tri-substituted t-butyl phenols : 0.7

Mono-substituted t-butyl phenols : 0.2

Phenol : 0.07

Applicant's summary and conclusion

Conclusions:
The Henry's constant appropriate to the major component is 0.3 Pa m3 mol-1.
Executive summary:

The aim of the study was to estimate the Henry's constants of the major components of the test substance using the HENRY program (Syracuse Research Corporation, New York). This is a fragment-addition method based on the method of Hine.

The Henry's constant appropriate to the major component is 0.3 Pa m3 mol-1.