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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: QSAR
Title:
EPI suite
Year:
2010
Bibliographic source:
KOWWIN model v. 1.68

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARs R.6

Test material

1
Chemical structure
Reference substance name:
Octadecanoic acid, reaction products with triethylenetetramine, chloromethane-quaternized
EC Number:
291-716-4
EC Name:
Octadecanoic acid, reaction products with triethylenetetramine, chloromethane-quaternized
Cas Number:
90459-71-5
Molecular formula:
Not applicable - UVCB substance
IUPAC Name:
Octadecanoic acid, reaction products with triethylenetetramine, chloromethane-quaternized
Test material form:
solid
Specific details on test material used for the study:
SMILES used:
1_ Stearic derivative CCCCCCCCCCCCCCCCCC(=O)NCCN(C)CC[N+](C)(C)CC[N+](C)(C)C
2_ Palmitic derivative CCCCCCCCCCCCCCCC(=O)NCCN(C)CC[N+](C)(C)CC[N+](C)(C)C
3_ Oleic derivative CCCCCCCCC=CCCCCCCCC(=O)NCCN(C)CCN(H)(C)(C)CCN(H)(C)(C)C

Results and discussion

Vapour pressureopen allclose all
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other:
Remarks:
On stearic derivative, grain method
Test no.:
#2
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other:
Remarks:
On palmitic derivative, grain method
Test no.:
#3
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other:
Remarks:
On Oleic derivative, grain method

Applicant's summary and conclusion

Conclusions:
The overall vapour pressure was estimated as 1.12 E-19 Pascal, estimated with the grain method.