Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: According to official guidelines

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7950 (Vapor Pressure)
Principles of method if other than guideline:
The vapour pressure of the test item (PT) was determined by the isothermal thermogravimetric effusion method. The method is validated in the range 10-8 – 103 Pa using a set of five reference substances with known vapour pressures. The validity of the method was verified maximum one month before this study using hexachlorobenzene as reference control substance. Since the logarithm of the evaporation rate at 20°C (log vT, 20) deviated < 10% from the average value obtained during the validation test, it was possible to apply the constants obtained with the validation test for the determination of the vapour pressure of the test item. A suspension of the test item in n-Hexane was applied to the surface of a roughened glass plate as a homogeneous layer. The plate was dried under nitrogen in the thermogravimetric analyzer (TGA). The amount of dried test item was 7.09 or 8.30 mg.
GLP compliance:
yes
Type of method:
other: isothermal thermogravimetric effusion method

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[(1E)-2-[(1E)-2-chloro-1-{2-[(2E)-1,1-dimethyl-3-(4-sulfobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]ethylidene}-1H-inden-3-yl]ethenyl]-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium
EC Number:
942-705-4
Cas Number:
2151868-08-3
Molecular formula:
C49 H49 Cl N2 O6 S2
IUPAC Name:
2-[(1E)-2-[(1E)-2-chloro-1-{2-[(2E)-1,1-dimethyl-3-(4-sulfobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]ethylidene}-1H-inden-3-yl]ethenyl]-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
Identification: V516690
Appearance: Brown to green powder (determined at WIL Research Europe)
Batch: V516690/AY
Purity/Composition: LC-MSpurity (Area% UV-VIS): 95.8% (Reference: PA064492)
Test item storage: At room temperature
Stable under storage conditions until 17 July 2016 (expiry date)
Molecular formula: C49H49ClN2O6S2
MW: 861.52

Results and discussion

Vapour pressureopen allclose all
Temp.:
20 °C
Vapour pressure:
< 0 Pa
Remarks on result:
other: the vapour pressure of the test item was determined to be lower than that of chrysene
Temp.:
20 °C
Vapour pressure:
< 0 mm Hg
Remarks on result:
other: the vapour pressure of the test item was determined to be lower than that of chrysene
Temp.:
25 °C
Vapour pressure:
< 0 Pa
Remarks on result:
other: the vapour pressure of the test item was determined to be lower than that of chrysene
Vapour pressure:
< 0 mm Hg
Remarks on result:
other: the vapour pressure of the test item was determined to be lower than that of chrysene

Any other information on results incl. tables

The weight loss of the test item at 170°C, 180°C, 190°C and 200°C was lower than the weight loss of chrysene at the same temperatures. According to this the vapour pressure of the test item was determined to be lower than that of chrysene.

Applicant's summary and conclusion

Conclusions:
The isothermal TGA effusion method was applied for the determination of the vapour pressure of V516690.
The vapour pressure of the test item at 20°C (293K) was <8.4 x 10-7 Pa ( <6.3 x10-9 mm Hg)
The vapour pressure of the test item at 25°C (298 K) was <2.0 x 10-6 Pa ( <1.5 x 10-8 mm Hg)