Registration Dossier

Administrative data

Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
08Mar1999 to 12Mar1999
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
The vapour pressure of a chemical substance is a pre-requisite to assess the Henry's law constant [H]. The Henry's law constant describes the partitioning of a organic chemical between water and air is an environmental key parameter that is expressed as the ratio of the partial pressure in the vapour phase and the concentration in water.

Ionic organic molecules with the structure and size of MIP Orange 3100 and chloride as a counter-ion have an excellent water solubility. Therefore, an extremely low vapour pressure can be expected. Thus it is sensible to calculate the vapour pressure with one of the scientifically accepted methods. Also the OECD guideline 104 justifies a calculation if the vapour pressure is < 10 Pa.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1999
Report Date:
1999

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
Calculation method
Principles of method if other than guideline:
The calculation method as described and commented in "Environmental Organic Chemistry, John Wiley & Sons, Inc. New York, 1993; editors : Schwarzenbach R. P. et al", pages 72/73
GLP compliance:
no
Type of method:
other: calculation/ estimation method

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: in silico
Specific details on test material used for the study:
N/A calculation method

Results and discussion

Vapour pressure
Key result
Test no.:
#1
Temp.:
20 °C
Vapour pressure:
< 0 Pa
Transition / decomposition
Transition / decomposition:
no
Remarks:
N/A - calculation method

Applicant's summary and conclusion

Conclusions:
Ionic organic molecules with the structure and size of Basic Orange 31 and chloride as a counter-ion have an excellent water solubility. Therefore, an extremely low vapour pressure can be expected. Thus it is sensible to calculate the vapour pressure with one of the scientifically accepted methods.

Also the OECD guideline 104 justifies a calculation if the vapour pressure is < 10 Pa. The calculation method as described and commented in "Environmental Organic Chemistry, John Wiley & Sons, Inc. New York, 1993; editors : Schwarzenbach R. P. et al", pages 72/73 gives the following result - vapour pressure at 20 °C is <0,0002 Pa.
Executive summary:

Ionic organic molecules with the structure and size of Basic Orange 31 and chloride as a counter-ion have an excellent water solubility. Therefore, an extremely low vapour pressure can be expected. Thus it is sensible to calculate the vapour pressure with one of the scientifically accepted methods.

 

Also the OECD guideline 104 justifies a calculation if the vapour pressure is < 10 Pa. The calculation method as described and commented in "Environmental Organic Chemistry, John Wiley & Sons, Inc. New York, 1993; editors : Schwarzenbach R. P. et al", pages 72/73 gives the following result - vapour pressure at 20 °C is <0,0002 Pa.