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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
Justification for type of information:
Please refer to attached justification below.
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR prediction
GLP compliance:
no
Type of method:
other: QSAR prediction
Boiling pt.:
58.24 °C
Remarks on result:
other: QSAR - Adapted Stein & Brown method
Boiling pt.:
64.5 °C
Remarks on result:
other: experimental value reported in outcome report of the prediction.
Conclusions:
Boiling point of 58.24°C is calculated by MPBVP v1.4.3 (EPI Suite v4.11; USEPA) by adapted Joback method.
Note that this endpoint is supported by experimental value of 64.5°C reported in outcome report of the prediction.
Executive summary:

Boiling point of 58.24°C is calculated by MPBVP v1.4.3 (EPI Suite v4.11; USEPA) by adapted Joback method.

Note that this endpoint is supported by experimental value of 64.5°C reported in outcome report of the prediction.

Description of key information

Boiling point of 58.24°C is calculated by MPBVP v1.4.3 (EPI Suite v4.11; USEPA) by adapted Joback method.

Note that this endpoint is supported by experimental value of 64.5°C reported in outcome report of the prediction.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
58.24 °C

Additional information