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EC number: 228-788-3 | CAS number: 6358-87-8
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 19 April 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Remarks:
- Acceptable, well-documented study report which meets basic scientific principles.
- Justification for type of information:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Data source
Referenceopen allclose all
- Reference Type:
- other: software
- Title:
- EPI Suite(TM), Version 4.1
- Author:
- US Environmental Protection Agency
- Year:
- 2 011
- Bibliographic source:
- Online: http://www.epa.gov/oppt/exposure/pubs/episuite.htm, accessed: April 2012
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
- Principles of method if other than guideline:
- Calculated limit value according to column 2 in Annex VII of Regulation (EC) No 1907/2006 (melting point - here: decomposition temperature -between 200 °C and 300 °C, see section 4.2).
- Type of method:
- other: estimate
Test material
- Reference substance name:
- Diethyl 4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate]
- EC Number:
- 228-788-3
- EC Name:
- Diethyl 4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate]
- Cas Number:
- 6358-87-8
- Molecular formula:
- C36H28Cl2N8O6
- IUPAC Name:
- diethyl 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate)
Constituent 1
Results and discussion
Vapour pressure
- Temp.:
- 25 °C
- Vapour pressure:
- < 0 Pa
Any other information on results incl. tables
Software output:
Experimental Database Structure Match: no data
SMILES : O=C5(C(N=Nc4(c(CL)cc(c3(cc(CL)c(N=NC2(C(C(=O)(OCC))=NN(c1(ccccc1))C2(
=O)))cc3))cc4))C(C(=O)(OCC))=NN5c6(ccccc6))
CHEM : 1H-Pyrazole-3-carboxylic acid, 4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,
4'-diyl)bis(azo)]bis[4,5-dihydro-5-oxo-1-phenyl-,
MOL FOR: C36 H28 CL2 N8 O6
MOL WT : 739.58
------------------------ SUMMARY MPBPWIN v1.43 --------------------
Boiling Point: 915.67 deg C (Adapted Stein and Brown Method)
Melting Point: 349.84 deg C (Adapted Joback Method)
Melting Point: 349.84 deg C (Gold and Ogle Method)
Mean Melt Pt : 349.84 deg C (Joback; Gold,Ogle Methods)
Selected MP: 349.84 deg C (Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 915.67 deg C (estimated))
(Using MP: 349.84 deg C (estimated))
VP: 6.36E-046 mm Hg (Antoine Method)
: 0 Pa (Antoine Method)
VP: 4.02E-023 mm Hg (Modified Grain Method)
: 5.35E-021 Pa (Modified Grain Method)
VP: 2.22E-022 mm Hg (Mackay Method)
: 2.96E-020 Pa (Mackay Method)
Selected VP: 4.02E-023 mm Hg (Modified Grain Method)
: 5.35E-021 Pa (Modified Grain Method)
Subcooled liquid VP: 2.06E-019 mm Hg (25 deg C, Mod-Grain method)
: 2.74E-017 Pa (25 deg C, Mod-Grain method)
Interpretation:
On the basis of the vapour pressure of 5.35 x 10-21 Pa selected in the software output, a limit value of <0.000001 Pa is chosen.
Applicant's summary and conclusion
- Conclusions:
- The vapour pressure of the submission substance is estimated to be far below 0.000001 Pa.
- Executive summary:
The vapour pressure of the submission substance was estimated by calculation in accordance with column 2 in Annex VII of Regulation (EC) No 1907/2006 by a calculation method recommended by the Guidance on Information Requirements and Chemical Safety Assessment (chapter R.7.1.5.3), MPBPVP of the EPI Suite (TM) software by the US Environmental Protection Agency (EPA, 2011).
The calculated vapour pressure at 25 °C is far below the chosen limit value of 0.000001 Pa.
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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