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Henry's Law constant

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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

Additional information

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