Ditolyl ether

Henry's Law constant

Link to relevant study record(s)

Reference

Endpoint:

Henry's law constant

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Remarks:

The Henry´s Law constant was calculated with HENRYWIN v.3.29 module of EPI Suite 4.00, which is recommended in the REACH Guidance on information requirements and chemical safety assessment, Appendix R.7.1-4 to Section R.7.1) for the prediction of Henry's Law constant. the resulting value is not an experimental one but estimated with a QSAR and therefore reliable with restrictions.

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

no guideline followed

Principles of method if other than guideline:

Calculation by using HENRYWIN v.3.20 which is implemented in EPI Suite TM v.4.00.

GLP compliance:

no

H:

4.864 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: user entered Henry LC (water solubility 2 mg/L)

H:

1.45 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Bond method

H:

3.27 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Group method

Conclusions:

The Henry's Law Constant for the substance was calculated using HENRYWIN (v.3.20) and was determined to be 0.004864 Pa *m³/mole.

Executive summary:

The Henry's Law Constant for the substance was calculated using HENRYWIN (v.3.20) and was determined to be 0.004864 Pa*m³/mole.

Description of key information

The Henry's Law constant for Ditolyl ether was calculated using HENRYWIN (v.3.20) and was determined to be 4.864 Pa m3/mol.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):

4.846

at the temperature of:

25 °C