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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

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
GLP compliance:
no
Type of method:
other: calculation

Results and discussion

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

Any other information on results incl. tables

MPBPVP (v1.43) Program Results:

Experimental Database Structure Match: no data

 

SMILES : Oc1ccc2ccccc2c1C=Nc3ccccc3O

MOL FOR: C17 H13 N1 O2

MOL WT : 263.30

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

 

Vapor Pressure Estimations (25 deg C):

(Using BP: 439.61 deg C (estimated))

(Using MP: 179.85 deg C (estimated))

VP

 4.91E-011 mm Hg (Antoine Method)

 

 6.54E-009 Pa (Antoine Method)

VP

 8.04E-010 mm Hg (Modified Grain Method)

 

 1.07E-007 Pa (Modified Grain Method)

VP

 5.46E-008 mm Hg (Mackay Method)

 

 7.28E-006 Pa (Mackay Method)

Selected VP

 8.04E-010 mm Hg (Modified Grain Method)

 

 1.07E-007 Pa (Modified Grain Method)

Subcooled liquid VP

 3.28E-008 mm Hg (25 deg C, Mod-Grain method)

 

 4.38E-006 Pa (25 deg C, Mod-Grain method)

Applicant's summary and conclusion