Registration Dossier
Registration Dossier
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EC number: 276-471-3 | CAS number: 72208-21-0
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Prediction made by EPISuite (MPBPWIN v1.42) of the US EPA using the modified Grain method. It is described in Lyman, W.J. 1985 (Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2). This method is a modification and significant improvement of the modified Watson method. It is applicable to solids, liquids and gases.
The smile notation used for estimation is: N#CCCN(C)c1ccc(cc1)/C=C/C=3C(C)(C)c2ccccc2N=3(C)OP(=O)(O)O. - Type of method:
- other: estimated by calculation
- Temp.:
- 25 °C
- Vapour pressure:
- ca. 0 mm Hg
- Remarks on result:
- other: modified Grain method
- Conclusions:
- Negligible vapour pressure at 25 °C, calculated by modified Grain method: 2.02E-12 mm Hg.
- Executive summary:
Method
Vapour pressure estimated by calculation using modified Grain method.
Result
Calculated vapour pressure is 2.02E-12 mmHg at 25 °C.
Reference
Description of key information
0.000000000002 mmHg at 25 °C.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
Estimated by calculation using modified Grain method.
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