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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Vapour pressure

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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

Referenceopen allclose all

Reference Type:
other: Estimation software
Title:
Unnamed
Year:
2021
Report date:
2020
Reference Type:
other company data
Title:
Unnamed
Year:
2020
Report date:
2020

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Estimation of vapour pressure using MPBPV v1.43
GLP compliance:
no
Type of method:
other: estimation method

Test material

Constituent 1
Chemical structure
Reference substance name:
Phthalonitrile
EC Number:
202-044-8
EC Name:
Phthalonitrile
Cas Number:
91-15-6
Molecular formula:
C8H4N2
IUPAC Name:
benzene-1,2-dicarbonitrile
Test material form:
solid

Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
0 hPa

Any other information on results incl. tables

SUMMARY MPBVP v1.43


Boiling Point: 265.92 deg C (Adapted Stein and Brown Method)


Melting Point: 75.68 deg C (Adapted Joback Method)
Melting Point: 41.61 deg C (Gold and Ogle Method)
Mean Melt Pt : 58.64 deg C (Joback; Gold,Ogle Methods)
Selected MP: 58.64 deg C (Mean Value)


Vapor Pressure Estimations (25 deg C):
(Using BP: 304.00 deg C (user entered))
(Using MP: 141.00 deg C (user entered))
VP: 8.02E-005 mm Hg (Antoine Method)
: 0.0107 Pa (Antoine Method)
VP: 0.000106 mm Hg (Modified Grain Method)
: 0.0142 Pa (Modified Grain Method)
VP: 0.000212 mm Hg (Mackay Method)
: 0.0283 Pa (Mackay Method)


Selected VP: 0.000106 mm Hg (Modified Grain Method)
: 0.0142 Pa (Modified Grain Method)


Subcooled liquid VP: 0.00158 mm Hg (25 deg C, Mod-Grain method)
: 0.21 Pa (25 deg C, Mod-Grain method)

Applicant's summary and conclusion