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Diss Factsheets

Physical & Chemical properties

Water solubility

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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1987
Report date:
1987

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
no
Type of method:
column elution 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

Results and discussion

Water solubility
Key result
Water solubility:
0.562 g/L
Temp.:
25 °C
pH:
7.1 - 8

Any other information on results incl. tables

Single results, column elution































































Circulation time until sampling in h



Sample size in ml



Saturation concentration at 25 °C, c in g/l



Mean value out of eight measurements



2



2



0.529



0.514 g/l


+- 0.009 (2%)



3



2



0.515



4



2



0.521



5



2



0.518



6



2



0.503



6, 5 (Circulation time too short)



2



 



7, 5



13



0.511



8, 5



13



0.507



9, 5



13



0.505



9, 5 discharge into CH3OH



90



0.453



The pH values vary between 6.6 and 7.1.


 


Single results, flask method in g/l at 25 °C


 


























































Weight of test item in g/l



Filtrate in g/l



Filtrate extract in g/l



Balance in g/l



Deviation in %



Average in g/l



0.9994



0.560



0.517



1.077



+0.078



0.562 +- 0.013 (2%)



0.8777



0.575



0.370



0.945



+0.067



0.5538



0.550



0.0668



0.617



+0.063



0.4242



0.429



0.0414



0.470



+0.046



pure solutions



0.2256



0.230



0.0202



0.250



+0.024



0.0930



0.0904



0.0080



0.0984



+0.054



The pH values vary between 7.1 and 8.0.


 


Resistance to hydrolysis
A comparison of the UV spectra of o-phthalonitrile (test substance) and the ammonium salt of phthalamic acid (hydrolysis product of o-phthalonitrile) gives no indication of any hydrolysis of the test substance under the test conditions. The pH of the saturated solutions varies between 6.6 and 7.1 for the elution method and between 7.1 and a, o (feed water pH 6.8) for the flask method.
A qualitative IR spectroscopic evaluation of the evaporation residue from saturated solutions shows o-pthalonitrile as the main component.


 

Applicant's summary and conclusion