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:
2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: well performed calculation with acknowledged software

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation with Software / MPBPWIN 1.43 (Syracuse Research Corporation)
GLP compliance:
no
Type of method:
other: estimation by calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
Hydrogen hydroxy[2-hydroxy-3-[(2-hydroxy-3-nitrobenzylidene)amino]-5-nitrobenzenesulphonato(3-)]chromate(1-), compound with 3-[(2-ethylhexyl)oxy]propylamine (1:1)
EC Number:
287-267-9
EC Name:
Hydrogen hydroxy[2-hydroxy-3-[(2-hydroxy-3-nitrobenzylidene)amino]-5-nitrobenzenesulphonato(3-)]chromate(1-), compound with 3-[(2-ethylhexyl)oxy]propylamine (1:1)
Cas Number:
85455-32-9
Molecular formula:
C13H7CrN3O10S.C11H25NO.H
IUPAC Name:
3-[(2-ethylhexyl)oxy]propan-1-aminium 1-hydroxy-4,13-dinitro-2,17-dioxa-10-aza-1-chromatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),4,6,11,13,15-hexaene-15-sulfonate

Results and discussion

Vapour pressure
Temp.:
20 °C
Vapour pressure:
2.4 Pa
Remarks on result:
other: The vapour pressure quoted is for Comp. 2 as free amine. This is an upper limit for the product. The vapour pressure of the protonated Comp. 2 will be lower. Comp. 1 (chromium complex) has negligible vapour pressure.

Applicant's summary and conclusion

Conclusions:
The calculated vapour pressure of the substance is 2.4 Pa at 20°C (based on the free amine)
Executive summary:

The vapour pressure of the substance was calculated with the Software / MPBPWIN 1.43 (Syracuse Research Corporation) and was found to be 2.4 Pa at 20 °C. The vapour pressure quoted is for Comp. 2 as free amine. This is an upper limit for the product. The vapour pressure of the protonated Comp. 2 will be lower. Comp. 1 (chromium complex) has negligible vapour pressure.