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EC number: 279-131-2 | CAS number: 79295-99-1
Vapour pressure
Administrative data
Link to relevant study record(s)
Description of key information
3.75E-016 Pa, at 25 °C (by calculation)
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
Column 2 of the REACH Regulation Annex VII provides the following specific rules for adaptation of the standard information requirement for vapour pressure.
The study does not need to be conducted if the melting point is above 300 °C. If the melting point is between 200 °C and 300 °C, a limit value based on measurement or a recognised calculation method is sufficient.’
Based on the OECD Guideline 104, the calculated values of the vapour pressure can be used:
- for deciding which of the experimental methods is appropriate,
- for providing an estimate or limit value in cases where the experimental method cannot be applied due to technical reasons (including where the vapour pressure is very low, e.g., less than 10-3 Pa).
The estimation method proposed by the OECD 104 is the modified Watson correlation, for which the only experimental data required is the normal boiling point.
In the DSC analysis it is observed loss of imbibition solvent between 30 - 127 °C followed by melting of the product between 173 - 203 °C (onset at 181.5 °C, enthalpy = - 18.6 J/g), followed by an exothermic event between 218 - 405 °C (onset = 257.9 °C, enthalpy = 397.2 J/g).
.
Therefore, the modified Watson correlation cannot be used. Nevertheless a prediction made by Epiwin 4.1 of the US EPA by a Modified Grain method has been conducted and the vapour resulted: 3.75E-016 Pa, at 25 °C.
The smile notation used for estimation is: Clc2cc(cc(c2\N=N/c1cc(OC)c(cc1/N=C(/C)O)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O.
The predicted value of vapour pressure is out of the recommended range of the pressures of the methods reported in the OECD Guideline (10^-5 – 10^5 Pa), therefore the calculated value has been reported as key value for the Chemical Safety Assessment.
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