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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

Administrative data

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 limited documentation / justification
Remarks:
Estimated by calculation using EPI Suite (v. 4.0) Quantitative Structure Activity Relationship (QSAR) computer model. EPI Suite has undergone detailed review by a panel of EPA’s independent Science Advisory Board (SAB) (http://www.epa.gov/sab/).
Justification for type of information:
EPI Suite has undergone detailed review by a panel of EPA’s independent Science Advisory Board (SAB)

Data source

Reference
Reference Type:
other: model
Title:
EPI Suite TM v 4.0
Author:
United States Environmental Protection Agency, Office of Pollution Prevention and Toxics and Syracuse Research Corporation, 2000. EPI Suite v 3.10 (April, 2001).
Year:
2009
Bibliographic source:
http://www.epa.gov/oppt/exposure/pubs/episuite.htm
Report date:
2010

Materials and methods

Test guideline
Guideline:
other:
Principles of method if other than guideline:
General model to estimate the boiling point (BP) of organic compounds. The estimation methodology for BP is an adaptation of the Stein and Brown method [Journal of Chemical Information and Computer Science, Volume 34, pp. 581-7 (1994)].
GLP compliance:
no
Type of method:
other: estimated by calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
Asphalt, sulfonated, sodium salt
EC Number:
269-212-0
EC Name:
Asphalt, sulfonated, sodium salt
Cas Number:
68201-32-1
Molecular formula:
UVCB
IUPAC Name:
Asphalt, sulfonated, sodium salt
Details on test material:
- Name of test material (representative constituent of SAS): C26 trisulfonated species
-Representative structure: C26H43O9S3Na3

Results and discussion

Boiling point
Boiling pt.:
916.13 °C
Atm. press.:
760 mm Hg

Applicant's summary and conclusion

Conclusions:
BP = 916.13 deg. C