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EC number: 229-066-0
CAS number: 6408-72-6
Validity of the model:
1. Defined Endpoint: Vapour
2. Unambigous algorithm:
The modified Grain method
equation was used for calculation.
3. Applicability domain:
Because an experimental melting point is available for Solvent violet 59
the applicablity domain is just described by the molecular weight range.
With a molecular weight of 418.49 g/mole the substance is within the
applicable range of 16 - 943 g/mole.
4. Statistical characteristics:
Correlation coefficient of the total test set is r2= 0.949.
5. Mechanistic interpretation:
The vapour pressure is related to fugacity models describing the
distribution of the substance in the environment.
Adequacy of prediction: The
result for Solvent violet 59 falls within the applicability domain
described above and the estimation rules applied for the substance
appears appropriate. Therefore the predicted value can be considered
reliable yielding a useful result for further assessment.
The vapour pressure of Solvent
violet 59 was predicted using the QSAR calculation of the Estimation
Programm Interface EPI-Suite v4.11. The experimental melting point of
191 °C was taken into account for estimation. Using the modified
Grain method, the vapour pressure was estimated to be 1.49*10-11
Pa at 25 °C. The predicted value can be considered reliable yielding a
useful result for further assessment.
The QSAR determination of the
vapor pressure of Solvent violet 59 using the model MPBPWIN included in
the Estimation Program Interface (EPI) Suite v4.11 revealed a value of
1.49*10-11 Pa at 25 °C. The experimental melting point
of 191 °C was taken into account for estimation.
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