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EC number: 947-404-1 | CAS number: -
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 modelling database
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- MPBPVP v1.43 was used to estimate the vapour pressure of Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate.
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Specific details on test material used for the study:
- - Name of the test material (IUPAC name): Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate- Common name: Basic Violet 4- Molecular weight: 515.7375- Molecular formula: C33H45N3O2- Smiles: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.CC(=O)[O-]- Inchl: 1S/C31H42N3.C2H4O2/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;1-2(3)4/h13-24H,7-12H2,1-6H3;1H3,(H,3,4)/q+1;/p-1- Substance type: Organic- Physical Appearance: greenish lustrous liquid- Stability: Stable in recommended storage conditions- Storage Conditions: Ambient Temp (23 to 27 °C)
- Key result
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Estimated value
- Conclusions:
- The estimated vapour pressure of Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate at 25 deg C was 1.42E-10 Pa.
- Executive summary:
Modified Grain method was used to estimate the vapour pressure of Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate at 25 deg C was 1.42E-10 Pa.
Reference
Description of key information
The estimated vapour pressure of Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate at 25 deg C was 1.42E-10 Pa.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
Modified Grain method was used to estimate the vapour pressure of Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate at 25 deg C was 1.42E-10 Pa.
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