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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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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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 QPRF/QMRF documentation for detailed information on model suitability.
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
Version / remarks:
May 2008
Principles of method if other than guideline:
QSAR prediction using MPBPVP (v1.43) of EpiSuite v4.1. QSAR calculation is based on the Adapted Stein and Brown Method.
GLP compliance:
no
Type of method:
other: QSAR calculation
Specific details on test material used for the study:
SMILES : O=C(OO)c(cccc1CL)c1
Key result
Boiling pt.:
ca. 264.33 °C
Remarks on result:
other: Adapted Stein and Brown Method

See QPRF/QMRF

Conclusions:
The estimated boiling point for 3-chloroperbenzoic acid using MPBVP v1.43 is 264.33 deg C.
Executive summary:

The estimated boiling point for 3-chloroperbenzoic acid using MPBVP v1.43 is 264.33 deg C.

Description of key information

The estimated boiling point for 3-chloroperbenzoic acid using MPBVP v1.43 is 264.33 deg C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
264.33 °C

Additional information