3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate homopolymer, uretdione type

Henry's Law constant

Administrative data

Endpoint:

Henry's law constant

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

other information

Study period:

calculated 2011-03-25

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2011

Report date:

2011

Materials and methods

Principles of method if other than guideline:

Calculation: Vapour pressure x molecular weight / water solubility = 6.48E-8 Pa * 444.58 g/mol / 4.54E-5 g/m3

Test material

Test material information

Constituent 1

Reference substance name:

2,4-dioxo-1,3-diazetidine-1,3-diylbis[methylene(1,5,5-trimethylcyclohexane-1,3-diyl)] diisocyanate

EC Number:

245-617-8

EC Name:

2,4-dioxo-1,3-diazetidine-1,3-diylbis[methylene(1,5,5-trimethylcyclohexane-1,3-diyl)] diisocyanate

Cas Number:

23370-68-5

Molecular formula:

C24H36N4O4

IUPAC Name:

1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3-diazetidine-2,4-dione

Constituent 2

Reference substance name:

Reference substance 001

Details on test material:

Cyclodimer of isophorone diisocyanate = main constituent of title substance. No sample required.

Results and discussion

Henry's Law constant H

H:

0.63 Pa m³/mol

Temp.:

25 °C

Atm. press.:

1 013.25 hPa

Applicant's summary and conclusion

Conclusions:

The calculated Henry’s law constant of 0.63 Pa m3/mol indicates low volatility of isophorone diisocyanate cyclodimer from surface waters. Similar behaviour is expected for the higher oligomers.

Executive summary:

The calculated Henry’s law constant of 0.63 Pa m3/mol indicates low volatility of isophorone diisocyanate cyclodimer from surface waters.