Registration Dossier

Administrative data

Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2014
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
The vapour pressure was assumed to be very low since the boiling point is 264 °C (experimentally determined). There is a great difficulty in the experimental determination of such low vapour pressures due to the uncertainty of pressure determination. We do not have the appropriate equipment to perform an experimental vapour pressure determination and we have not been successful in finding a contract laboratory that can either. The estimation methods SPARC and MPBPWIN were chosen for the prediction of vapour pressure since they both are applicable for organic solids and have a good accuracy. The vapour pressure has been calculated with two different calculation programs. According to “Endpoint specific guidance R.7.1.5.3” SPARC and MPBPWIN are recommended as calculation programs for vapour pressure.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Report Date:
2014

Materials and methods

Principles of method if other than guideline:
Calculation method
GLP compliance:
no
Type of method:
other: calculation

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Vapour pressureopen allclose all
Temp.:
25 °C
Vapour pressure:
0.08 Pa
Remarks on result:
other: Calculation method SPARC
Temp.:
25 °C
Vapour pressure:
0.086 Pa
Remarks on result:
other: Calculation method MPBPWIN (v1.43) Modified Grain method

Any other information on results incl. tables

 

Vapour pressure (Pa) @ 25°C

SPARC

0.0795

MPBPWIN v1.43 (Modified Grain method)

0.0856

Applicant's summary and conclusion

Conclusions:
Value: 0.08 Pa at 25 ºC
Method: Calculation method SPARC and MPBPWIN (v1.43) Modified Grain method



Executive summary:

Vapour pressure: 0.08 Pa at 25 °C using SPARC and MPBPWIN calculation methods.