Registration Dossier
Registration Dossier
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EC number: 225-863-2 | CAS number: 5124-30-1
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:
- accepted calculation method
- Principles of method if other than guideline:
- QSAR estimation with HENRYWIN v. 1.30
- GLP compliance:
- no
- H:
- 6.9 Pa m³/mol
- Temp.:
- 25 °C
- Executive summary:
The Henry Law Constant of 4,4-methylenedicyclohexyl diisocyanate is 6.9 Pa*m³/mol at a temperature of 25 °C estimated with HENRYWIN v. 1.30 on the basis of the bond contribution method (Currenta, 2009).
Reference
Description of key information
The calculation of the Henry’s Law Constant is not suitable due to the hydrolysing properties of 4,4’-methylenedicyclohexyl diisocyanate.
However, for the later derivation of PNECsediment and PNECsoil (chapter 7.1, 7.2) a Henry’s Law Constant of 6.9 Pa*m³/mol at a temperature of 25 °C was calculated with HENRYWIN v. 1.30 on the basis of the bond contribution method (Currenta, 2009a).
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 6.9
- at the temperature of:
- 25 °C
Additional information
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