Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 940-673-6 | CAS number: 1391764-61-6
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- from to
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Well documented guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- effusion method: vapour pressure balance
Test material
- Reference substance name:
- N,N-dibutyl-4-[4-(4-chlorophenyl)-3,6-dioxo-2H,3H,5H,6H-pyrrolo[3,4-c]pyrrol-1-yl]benzamide
- Cas Number:
- 1391764-61-6
- Molecular formula:
- C27H28ClN3O3
- IUPAC Name:
- N,N-dibutyl-4-[4-(4-chlorophenyl)-3,6-dioxo-2H,3H,5H,6H-pyrrolo[3,4-c]pyrrol-1-yl]benzamide
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
Constituent 1
Results and discussion
Vapour pressureopen allclose all
- Temp.:
- 20 °C
- Vapour pressure:
- < 0 Pa
- Remarks on result:
- other: calculated with the Antoine equation
- Temp.:
- 25 °C
- Vapour pressure:
- < 0 Pa
- Remarks on result:
- other: calculated with the Antoine equation
- Temp.:
- 50 °C
- Vapour pressure:
- < 0 Pa
- Remarks on result:
- other: calculated with the Antoine equation
Transition / decomposition
- Transition / decomposition:
- no
Any other information on results incl. tables
Thermal stability:
The DSC-measurement showed no endothermic or exothermic effects up to 300 °C (final measurement temperature).
Vapour pressure balance (effusion method):
Table 1: Measured vapour pressures and corresponding temperatures
Temperature (°C) |
Vapour pressure (hPa) |
70 |
6.7 x 10-6 |
80 |
- (*) |
90 |
- (*) |
100 |
- (*) |
110 |
- (*) |
120 |
- (*) |
130 |
- (*) |
(*) No calculation of the vapour was pressure possible because no weight decrease could be detected.
The vapour pressure in the temperature range of 70 - 130°C was below the lower detection limit of 10-5 hPa.
The vapour pressure of the test item at 20, 25 and 50 °C was estimated. According to the Antoine equation, the vapour pressure can be calculated according to:
log ( p ) = A + B/( C + T ), where
P = Vapour pressure in hPa
T = Temperature in °C
A, B, C = Antoine constants
For a conservative estimation of the vapour pressure of the test item at 20, 25 and 50 °C, a value of -5000 for constant B and a value of 273.15 for constant C, respectively, were used.
The last data point of the measurement at 70.0 °C was used as the starting point for the calculation. The measured vapour pressure at 70.0 °C was below 10-5 hPa. For a conservative estimation, it was assumed that the vapour pressure at 70.0 °C is equal to the lower detection limit of the vapour pressure balance (10-5 hPa).
Based on this assumption, the constant A of the Antoine equation was calculated:
A = log ( p ) - B/( C + T ) = log ( 10-5 ) – (-5000)/( 273.15 + 70 ) = 9.57
Subsequently, the vapour pressure at 20, 25 and 50 °C can be calculated with the Antoine equation:
Table 2: Calculated vapour pressure at 20, 25 and 50 °C
T (°C) |
p (hPa) |
p (Pa) |
20 |
< 3.3 x 10-8 |
< 3.3 x 10-6 |
25 |
< 6.3 x 10-8 |
< 6.3 x 10-6 |
50 |
< 1.3 x 10-6 |
< 1.3 x 10-4 |
This is a conservative estimation of the vapour pressure of the test item for the listed temperatures. The true vapour pressure is most likely to be even much lower than this value derived from the detection limit. Due to a conservative approach the vapour pressure is rounded up to the next order of magnitude.
Applicant's summary and conclusion
- Conclusions:
- The extrapolated vapour pressure of K-36 are < 3.3 x 10-8 hPa, < 6.3 x 10-8 hPa and < 1.3 x 10-6 hPa respectively at 20, 25 and 50°C.
- Executive summary:
The vapour pressure of K-36 was assessed using the balance method, according to EU Guideline A.4 and OECD Guideline 104.
The extrapolated vapour pressure of K-36 are < 3.3 x 10-8 hPa, < 6.3 x 10-8 hPa and < 1.3 x 10-6 hPa respectively at 20, 25 and 50°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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
