Reaction mass of 2,6-di-tert-butylphenol and 2,4,6-tri-tert-butylphenol

Henry's Law constant

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

Test material information

Constituent 1

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.