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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
data is from modelling database
Reference:
Composition 0
Qualifier:
equivalent or similar to
Guideline:
other: estimated data
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the vapour pressure of the substance 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium salt
GLP compliance:
not specified
Type of method:
other: estimated data
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material : 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium salt
- Molecular formula : C20H4Br4Cl4O5.xAl
- Molecular weight : 2387.0295 g/mol
- Smiles notation : c1c2c(c(c(c1Br)O)Br)Oc3c(cc(c(c3Br)O)Br)C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)[O-].c1c2c(c(c(c1Br)O)Br)Oc3c(cc(c(c3Br)O)Br)C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)[O-].c1c2c(c(c(c1Br)O)Br)Oc3c(cc(c(c3Br)O)Br)C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)[O-].[Al+3]
- InChl: 1S/3C20H6Br4Cl4O5.Al/c3*21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29;/h3*1-2,7,29-30H,(H,31,32);/q;;;+3/p-3
- Substance type:Organic
- Physical state:Solid
Key result
Temp.:
25 °C
Vapour pressure:
ca. 0 Pa
Remarks on result:
other: estimated value by Modified Grain Method
Conclusions:
The estimated vapour pressure of the substance 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium salt at 25deg C was 4.49E-018 Pa
Executive summary:

Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the substance 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium salt using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of the substance 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium salt at 25deg C was 4.49E-018 Pa

Description of key information

Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the substance 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium saltusing MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of the substance3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium saltat 25deg C was4.49E-018 Pa

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
25 °C

Additional information

Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the substance 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium saltusing MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of the substance3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium saltat 25deg C was 4.49E-018 Pa