Registration Dossier

Administrative data

Endpoint:
vapour pressure
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
other:

Data source

Materials and methods

Results and discussion

Any other information on results incl. tables

Method

 

Method/Guideline

Modeled in MPBPWIN V1.43 (EpiSuite 4.1)

SMILES designation

Structure 1:

CC/C=C/CCCCC1C(CCCCCC)CCC(CCCCCCCC(NCCCN(C)C)=O)C1CCCCCCCC(NCCCN(C)C)=O

Structure 2:

CC/C=C/C/C=C/CC1C(CCCCCC)CCC(CCCCCCCC(NCCCN(C)C)=O)C1CCCCCCCC(NCCCN(C)C)=O

 

Structure 3:

CC/C=C/C/C=C/CC1=C(CCCCCC)C=CC(CCCCCCCC(NCCCN(C)C)=O)=C1CCCCCCCC(NCCCN(C)C)=O

 

Results

Modeling Results for Vapor Pressure

 

Idealized Structures

Data (Pa at 25oC)

Structure 1

3.6 x 10-19

Structure 2

2.9 x 10-19

Structure 3

6.3 x 10-22

Conclusions

The vapor pressures for three representative structures are predicted to be range from 6.3 x 10-22Pa to 3.6 x 10-19at 25oC, indicating the absence of dangerous property of this substance.

Applicant's summary and conclusion