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Administrative data

Endpoint:
vapour pressure
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
other: Reliability cannot be assigned since a QSAR method based on the non-ionic form is used
Rationale for reliability incl. deficiencies:
other: Reliability cannot be assigned since a QSAR method based on the non-ionic form is used, in order to give an order of magnitude of the vapor pressure

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report date:
2014

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Vapor Pressure is estimated by three methods; all three methods use the boiling point.  The first is the Antoine method (see Chapter 14 of W.J.
Lyman's book "Handbook of Chemical Property Estimation Methods", Washington, DC: American Chemical Society, 1990).  The second is the
modified Grain method (see page 31 of Neely and Blau's Environmental Exposure from Chemicals, Volume I, CRC Press, 1985).  The third is the
Mackay method (see page 31-2 of Neely and Blau's Environmental Exposure from Chemicals, Volume I, CRC Press, 1985).  For solids, a melting
point is required to adjust the vapor pressure from a subcooled (supercooled) liquid to a solid.  Data entry allows measured BP and MP to be to used; when entered, the measured values are used instead of the estimated values.  The preferred VP method for solids is the Modified Grain method,
although the Antoine method in this program is nearly as good because it uses the exact same methodology to convert super-cooled VP to solid VP.  For liquids, the mean of the Grain and Antoine methods is preferred.  The Mackay method is not applicable as many chemical classes has the other methods, so it is generally not preferred.
GLP compliance:
no
Type of method:
other: Calculation method performed with the software EPI Suite 4.11

Test material

Constituent 1
Reference substance name:
1,3-diphenylguanidine
EC Number:
203-002-1
EC Name:
1,3-diphenylguanidine
Cas Number:
102-06-7
IUPAC Name:
1,3-diphenylguanidine
Constituent 2
Reference substance name:
diphenylguanidine
IUPAC Name:
diphenylguanidine
Test material form:
not specified
Details on test material:
- Name of test material :DPG
- Smiles notation : N=C(Nc1ccccc1)Nc2ccccc2
- Structural formula attached as image file (if other than submission substance): see Fig.


Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
< 0.001 Pa

Applicant's summary and conclusion

Conclusions:
Vapour pressure at 25 °C = 5.29 · 10-4 Pa (according to Modified Grain method) for DPG.
So, the expected vapour pressure of the ionic salt: (AY36)- · (DPG)+ = SEPISOL FAST YELLOW MG-DPG should be much lower at 25 °C (well below 5.29 · 10-4 Pa) and below the lowest experimentally measurable value.