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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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.