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EC number: 424-310-4 | CAS number: 178452-66-9 BLUE PE 3811
Boiling point
Administrative data
- Endpoint:
- boiling point
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Meissner's method
- Adequacy of study:
- key study
- Study period:
- August 21st, 1996
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- other: Calculation report
- Title:
- Unnamed
- Year:
- 1 996
- Report date:
- 1996
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: estimation method
- Principles of method if other than guideline:
- The boiling point of BLUE PE 3811 was calculated using the Meissner's method. This calculation is based on the relation of the normal boiling points with chemical type; molar refraction (Rd) and parachor (Pa) are used as variables in the correlation. The molar refraction and parachor values were computed by summing the contributions for each atom or substructure, and multiple bond in the compound.
- Type of method:
- other: calculation using Meissner's method
Test material
- Reference substance name:
- 3-(2,4-bis(4-((5-(4,6-bis(2-aminopropylamino)-1,3,5-triazin-2-ylamino)-4-hydroxy-2,7-disulfonaphthalen-3-yl)azo)phenylamino)-1,3,5-triazin-6-ylamino)propyldiethylammonium lactate
- EC Number:
- 424-310-4
- EC Name:
- 3-(2,4-bis(4-((5-(4,6-bis(2-aminopropylamino)-1,3,5-triazin-2-ylamino)-4-hydroxy-2,7-disulfonaphthalen-3-yl)azo)phenylamino)-1,3,5-triazin-6-ylamino)propyldiethylammonium lactate
- Cas Number:
- 178452-66-9
- Molecular formula:
- Hill formula: C63 H83 N27 O17 S4 CAS formula: C60 H77 N27 O14 S4 . C3 H6 O3
- IUPAC Name:
- 2-hydroxypropanoic acid; 5-({4,6-bis[(2-aminopropyl)amino]-1,3,5-triazin-2-yl}amino)-3-{2-[4-({4-[(4-{2-[8-({4,6-bis[(2-aminopropyl)amino]-1,3,5-triazin-2-yl}amino)-1-hydroxy-3,6-disulfonaphthalen-2-yl]diazen-1-yl}phenyl)amino]-6-{[3-(diethylamino)propyl]amino}-1,3,5-triazin-2-yl}amino)phenyl]diazen-1-yl}-4-hydroxynaphthalene-2,7-disulfonic acid
- Test material form:
- solid
Constituent 1
Results and discussion
Boiling point
- Boiling pt.:
- ca. 1 150 °C
- Atm. press.:
- 101.3 kPa
Any other information on results incl. tables
Since the substance is a solid that decomposes at temperatures above 230 °C, the boiling point cannot be determined experimentally but only by calculation. The determination of the boiling point of the substance was necessary for the calculation of the vapour pressure and therefore determined by calculation using the Meissner's method.
Applicant's summary and conclusion
- Conclusions:
- The boiling point of the substance was calculated to be approx. 1150 °C.
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