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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