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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
The melting point is between 200 to 300°C, a limit value based on a recognised calculation method is sufficient therefore the study does not need to be conducted according to column 2 of Annex VII of REACH Regulation (EC) No 1907/2006.

Data source

Referenceopen allclose all

Reference Type:
other: EPI Suite calculation
Title:
Unnamed
Year:
2017
Report date:
2017
Reference Type:
other: Estimation software
Title:
Unnamed
Year:
2012

Materials and methods

Principles of method if other than guideline:
The calculation was based on Modified Grain Method using recommended MPBPVP (v1.43) module of software EPI Suite v.4.11
This QSPR software complies with the OECD principles which stated in “QSPR prediction of physico-chemical properties for REACH” and was published in the SAR and QSAR in Environment Research in 2013 (Dearden, J.C., Rotureau, P., Fayet G. (2013). QSPR prediction of physico-chemical properties for REACH, SAR and QSAR in Environmental Research, Vol. 24, No.4, 279-318).
GLP compliance:
no
Type of method:
other: calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-(4-hydroxy-3,5-
EC Number:
813-928-3
Cas Number:
155810-87-0
Molecular formula:
C24 H30 O3
IUPAC Name:
2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-(4-hydroxy-3,5-

Results and discussion

Vapour pressure
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other:
Remarks:
calculated by Modified Grain Method

Any other information on results incl. tables

MPBPVP (v1.43) Program Results:

=========================

MOL FOR: C24 H30 O3

MOL WT : 366.50

------------------------ SUMMARY MPBVP v1.43 --------------------

Vapor Pressure Estimations (25 deg C):

(Using BP: 492.40 deg C (estimated))

(Using MP: 237.50 deg C (user entered))

VP

 4.06E-013 mm Hg (Antoine Method)

 

 5.42E-011 Pa (Antoine Method)

VP

 2.92E-011 mm Hg (Modified Grain Method)

 

 3.9E-009 Pa (Modified Grain Method)

VP

 7.15E-010 mm Hg (Mackay Method)

 

 9.54E-008 Pa (Mackay Method)

Selected VP

 2.92E-011 mm Hg (Modified Grain Method)

 

 3.9E-009 Pa (Modified Grain Method)

Subcooled liquid VP

 5.76E-009 mm Hg (25 deg C, Mod-Grain method)

 

 7.67E-007 Pa (25 deg C, Mod-Grain method)

Applicant's summary and conclusion

Conclusions:
The vapour pressure of test substance was estimated to be 3.9 E-09 Pa at 25°C based on Modified Grain Method