4,4'-methylenedicyclohexyl diisocyanate

Henry's Law constant

Link to relevant study record(s)

Reference

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).

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