STI571 F8

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2005

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2005

Report date:

2005

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Principles of method if other than guideline:

The vapour pressure is estimated in MPBPWIN 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
vapour pressure from a super-cooled liquid to a solid. The preferred vapour pressure (VP)
method for solids, according to the designer of the program, 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. The Mackay method is not as applicable to as many chemical classes as the other methods, so it is generally not preferred. The hydrochloride of the base is considered to have a lower vapour pressure than the base. Therefore the base and the hydrochloride was calculated.

GLP compliance:

yes

Type of method:

other: Atom/fragment contribution method using the software MPBPWIN Version v1.40©2000, provided by U.S. Environmental Protection Agency. (Modified Grain Method)

Test material

Test material information

Constituent 1

Test material form:

solid: particulate/powder

Details on test material:

Batch number: 022401

Specific details on test material used for the study:

Not applicable as calculation method was used, The MPBWIN requires only a chemical structure to make the prediction on Vapour pressure.

Results and discussion

Vapour pressure

Key result

Temp.:

25 °C

Vapour pressure:

< 0 Pa

Remarks on result:

other: First vapour pressure

Applicant's summary and conclusion

Conclusions:

The calculated vapour pressure for the base of the test
substance is 4.1 * 10-11 Pa at 25°C.

For the test substance as a hydrochloride a vapour
pressure of 1.5 * 10-18 Pa at 25°C was calculated.