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EC number: 242-355-6 | CAS number: 18472-87-2
Vapour pressure
Administrative data
Link to relevant study record(s)
- 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 predictive model developed by US EPA.
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- The vapour pressure of 3,4,5,6-tetrachloro-2-(1,4,5,8-tetrabromo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid (CAS No. 18472-87-2) was estimated from EPI suite MPBPVP (v1.43) Program.
- GLP compliance:
- no
- Type of method:
- other: Modified Grain Method
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Test item Name: 3,4,5,6-tetrachloro-2-(1,4,5,8-tetrabromo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid (CAS Number: 18472-87-2)
- Physical State: Solid
- Form and colour: Red powder
- Molecular formula: C20H4Br4Cl4O5.2Na
- Molecular weight: 829.6388 g/mol
- InChI: 1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26;; /h1-2,29- 30H;;/q;2*+1/p-2
- Smiles: c1c2c(c(c(c1Br)[O-])Br)Oc3c(cc(c(c3Br)[O-])Br)C24c5c(c(c(c(c5Cl)Cl)Cl)Cl)C(=O)O4.[Na+].[Na+]
- Substance type: Organic - Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Estimated via Modified Grain Method
- Conclusions:
- The vapor pressure of test substance was estimated to be 3.12E-021 Pa at 25 deg C
- Executive summary:
The Modified Grain method was used to estimate the vapour pressure of test substance using MPBPVP v1.43 Program of EPI SUITE. The vapor pressure of test substance was estimated to be 3.12E-021 Pa at 25 deg C.
Reference
Description of key information
The vapor pressure of test substance was estimated to be 3.12E-021 Pa at 25 deg C. However for chemical safety assessment the value considered is 3.12E-5.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
The Modified Grain method was used to estimate the vapour pressure of test substance using MPBPVP v1.43 Program of EPI SUITE. The vapor pressure of test substance was estimated to be 3.12E-021 Pa at 25 deg C
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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