Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Data source

Reference
Reference Type:
other: Computer model
Title:
EPI SuiteTM, Estimation Program Interface Suite, v4.1
Author:
U.S. Environmental Protection Agency (USEPA)
Year:
2000
Bibliographic source:
USEPA, Washington, DC, USA

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: MBPBVP by EPISUITE
Version / remarks:
computer model
GLP compliance:
no
Type of method:
other: computer model

Test material

Constituent 1
Chemical structure
Reference substance name:
Heptyl undec-10-enoate
EC Number:
268-850-7
EC Name:
Heptyl undec-10-enoate
Cas Number:
68141-27-5
Molecular formula:
C18H34O2
IUPAC Name:
heptyl undec-10-enoate

Results and discussion

Boiling point
Boiling pt.:
336 °C
Atm. press.:
1 013 hPa
Remarks on result:
not measured/tested

Applicant's summary and conclusion

Conclusions:
Boiling point is estimated to 336 C according to MPBPWIN model from EPISUITE
Executive summary:

Boiling point is estimated to 336 C according to MPBPWIN model from EPISUITE