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Physical & Chemical properties

Boiling point

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Reference
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
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
Reference:
Composition 0
Qualifier:
no guideline available
Principles of method if other than guideline:
TEST v4.2
Model prediction report is attached in IUCLID.
GLP compliance:
no
Test material information:
Composition 1
Specific details on test material used for the study:
SMILES: OC1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
Key result
Boiling pt.:
384.72 °C
Remarks on result:
other: QSAR predicted value

Based on structural similarity of other sugars, decomposition is expected to occur prior to boiling.

Conclusions:
Boiling point: 384.72°C
Executive summary:

Test v4.2 model predicted the boiling point of the test substance to be 384.72°C. Additional supporting documentation is provided in the prediction report attached in IUCLID.

Description of key information

QSAR predicted value

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
384.72 °C

Additional information