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EC number: 203-845-5 | CAS number: 111-20-6
Henry's Law constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- Henry's law constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable calculation method
- Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment Chapter R.16: Environmental Exposure Estimation
- GLP compliance:
- no
- H:
- 0 Pa m³/mol
- Endpoint:
- Henry's law constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- 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 adequate and reliable documentation / justification
- Principles of method if other than guideline:
- calculation using SRC HENRYWIN v3.20
- GLP compliance:
- no
- H:
- 0 Pa m³/mol
- Temp.:
- 25 °C
Referenceopen allclose all
Input data:
VP = 0,000009 [Pa]
MOLW = 202,25 [g/mol]
SOL = 209 [mg/L]
Class |
Bond Contribution Description |
Comment |
Value |
Hydrogen |
16 Hydrogen to Carbon (aliphatic) Bonds |
|
-1.9148 |
Hydrogen |
2 Hydrogen to Oxygen Bonds |
|
6.4635 |
Fragment |
7 C-C |
|
0.8141 |
Fragment |
2 C-CO |
|
3.4114 |
Fragment |
2 CO-O |
|
0.1429 |
Result |
Bond Estimation Method for LWAPC Value |
Total |
8.917 |
Henry’s Law Constant at 25 °C
|
2.96E-011 atm-m3/mole |
||
1.21E-009 unitless |
|||
3.00E-006 Pa-m3/mole |
|||
Description of key information
From the water surface sebacic acid will not evaporate into the atmosphere.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0
Additional information
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met. Furthermore according to Article 25 of the same Regulation testing on vertebrate animals shall be undertaken only as a last resort.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of CAS 111-20-6 (Q)SAR results were used for Henry’s law constant. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.
Therefore, further experimental studies on Henry’s law constant are not provided.
Henry´s law constant at 25°C was estimated to be 0.0000087 Pa*m3/mole according to Equation R.16 -4 of the Guidance on information requirements and chemical safety assessment, Chapter R.16: Environmental Exposure Estimation (ECHA 2012).
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.
