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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Boiling point

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Endpoint:
boiling point
Type of information:
other: SDS
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Principles of method if other than guideline:
- Principle of test: Determination of the melting/freezing point
- Short description of test conditions: not specified
- Parameters analysed / observed: not specified
GLP compliance:
not specified
Boiling pt.:
325 °C
Atm. press.:
1 atm
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Value estimated using QSAR Toolbox
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on MPBPWIN (v1.43)
GLP compliance:
no
Type of method:
other: QSAR Estimation Adapted Stein and Brown Method
Specific details on test material used for the study:
Not applicable
Boiling pt.:
358.49 °C
Atm. press.:
1 atm
Decomposition:
no

MPBPWIN (v1.43) Program Results:

===============================

Experimental Database Structure Match: no data

 

SMILES : O=C(OCCCCCCCCCCCCCC)C(O)C

CHEM   : 1323 -03 -1

MOL FOR: C17 H34 O3

MOL WT : 286.46

------------------------ SUMMARY MPBPWIN v1.43 --------------------

Boiling Point: 358.49 deg C (Adapted Stein and Brown Method)

Description of key information

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
325 °C

Additional information