Registration Dossier
Registration Dossier
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EC number: 936-023-6 | CAS number: 950782-86-2
Henry's Law constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- Henry's law constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable calculation method.
- Principles of method if other than guideline:
- Calculation of Henry's Law Constant at 20°C.
- GLP compliance:
- no
- H:
- 0 Pa m³/mol
- Temp.:
- 20 °C
- Remarks on result:
- other: pH 4
- H:
- 0 Pa m³/mol
- Temp.:
- 20 °C
- Remarks on result:
- other: In distilled water (pH range 6.6 - 6.9) and at pH 9
- Endpoint:
- Henry's law constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable calculation method.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The Henry's law constant K (as Pa *m3 •*mol-1) was calculated at 20 °C.
- GLP compliance:
- no
- H:
- 0 Pa m³/mol
- Temp.:
- 20 °C
- Remarks on result:
- other: pH 4
- H:
- 0 Pa m³/mol
- Temp.:
- 20 °C
- Remarks on result:
- other: distilled water (pH-range of the saturated solutions in distilled water: pH 6.3 - 7.0)
- H:
- 0 Pa m³/mol
- Temp.:
- 20 °C
- Remarks on result:
- other: pH 9
Referenceopen allclose all
Description of key information
The substance will not evaporate from the water surface into the atmosphere.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0
- at the temperature of:
- 20 °C
Additional information
Henry’s law constant of the substance was calculated to be 1.71 x 10-6Pa x m3x mol-1(at pH 4) and 2.69 x 10-6Pa x m3x mol-1in distilled water at pH 9 at 20°C for the main isomere. With a Henry's law constant < 0.01 Pa x m3x mol-1 , the substance is less volatile than water and will not evaporate into the atmosphere from the water surface. A second calculation for the second isomere (cas no 730979 -32 -5) shows a Henry´s law constant of 6.56 x 10-7Pa x m3x mol-1(at pH 4) and 9,29 x 10-7Pa x m3x mol-1in distilled water at pH 9 at 20°C.
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