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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.

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