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EC number: 215-350-1 | CAS number: 1323-03-1
Boiling point
Administrative data
Link to relevant study record(s)
- 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
Referenceopen allclose all
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
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