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Physical & Chemical properties

Boiling point

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Administrative data

Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2013

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR; Advanced Chemistry Development (ACD/Labs) Software V11.02
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Fatty acids, C16-18, reaction products with diethanolamine
EC Number:
293-014-3
EC Name:
Fatty acids, C16-18, reaction products with diethanolamine
Cas Number:
91032-08-5
Molecular formula:
C22H45NO3 to C52H101NO5
IUPAC Name:
Fatty acids, C16-18, reaction products with diethanolamine

Results and discussion

Boiling point
Boiling pt.:
702.8 °C
Atm. press.:
1 013 hPa

Applicant's summary and conclusion

Conclusions:
Based on the results of the autoflammability test (see secton 4.12) and QSAR estimation for the major component [ CAS 55349-70-7; Octadecanoic acid, 2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl ester] with an estimated a boiling point of 702.8±45.0 °C (Press: 760 Torr; Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2013 ACD/Labs), no boiling point determination has been performed