2-[(4-aminophenyl)azo]-1,3-dimethyl-1H-imidazolium chloride

Vapour pressure

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

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

Test material information

Constituent 1

Reference substance name:

2-[(4-aminophenyl)azo]-1,3-dimethyl-1H-imidazolium chloride

EC Number:

306-764-4

EC Name:

2-[(4-aminophenyl)azo]-1,3-dimethyl-1H-imidazolium chloride

Cas Number:

97404-02-9

Molecular formula:

C11H14N5.Cl

IUPAC Name:

2-[(1E)-2-(4-aminophenyl)diazen-1-yl]-1,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium chloride

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.