Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
not applicable
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:
QSAR prediction: US EPA accepted QSAR method for organic chemicals properties assessment.
Qualifier:
no guideline followed
Principles of method if other than guideline:
not applicable. QSAR model (Estimation: EPI Suite (Adapted Stein & Brown method))
GLP compliance:
no
Remarks:
not applicable. QSAR model
Type of method:
other: not applicable. QSAR model
Boiling pt.:
ca. 660.62 °C
Atm. press.:
0 mm Hg
Decomposition:
no
Remarks:
no data provided by method
Remarks on result:
other: Selected VP: 2.29E-015 mm Hg (Modified Grain Method), 3.05E-013 Pa (Modified Grain Method)

Overview of QSARs estimations on Boiling Point of Sodium dodecylbenzenesulfonate/ Benzenesulfonic acid, dodecyl-, sodium salt

 

Method

 

Results

Remarks

Reference

QSAR estimate

Boiling Point: 660.62 deg C (Adapted Stein and Brown Method)

Vapor Pressure Estimations (25 deg C):

 (Using BP: 660.62 deg C (estimated))

 (Using MP: 287.63 deg C (estimated))

Selected VP: 2.29E-015 mm Hg (Modified Grain Method)

 : 3.05E-013 Pa (Modified Grain Method)

 

 

Valid with restrictions (2); QSAR method;

Estimated values

MPBPWIN (v.1.43)
Conclusions:
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 660.62 deg C (estimated) was established.
Executive summary:
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 660.62 deg C (estimated) was established.

Description of key information

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 660.62 deg C (estimated) was established.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
660.62 °C

Additional information

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 660.62 deg C (estimated) was established.