Registration Dossier
Registration Dossier
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EC number: 205-252-7 | CAS number: 136-60-7
Henry's Law constant
Administrative data
- Endpoint:
- Henry's law constant
- Type of information:
- calculation (if not (Q)SAR)
- Study period:
- not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- other: calculation
- Title:
- Guidance on information requirements and chemical safety assessment (IR & CSA) Chapter 16 "Environmental exposure estimate" v6
- Author:
- ECHA
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- GLP compliance:
- no
Test material
- Reference substance name:
- Butyl benzoate
- EC Number:
- 205-252-7
- EC Name:
- Butyl benzoate
- Cas Number:
- 136-60-7
- Molecular formula:
- C11H14O2
- IUPAC Name:
- butyl benzoate
- Test material form:
- liquid
Constituent 1
Results and discussion
Henry's Law constant H
- Key result
- H:
- 44.4 Pa m³/mol
- Temp.:
- 20 °C
- Remarks on result:
- other: Henry´s law constant is calculated based on the experimental vapour pressure and experimental water solubility.
Applicant's summary and conclusion
- Conclusions:
- A scientifically accepted calculation method is used to determine the Henry´s Law Constant. No GLP criteria are applicable for the usage of this tool and the estimation is easily repeatable. The Henry's Law Constant of the substance was estimated to be 44.4 Pa m³/mol at 20°C.
- Executive summary:
The Henry´s Law constant of butyl benzoate was determined.Henry´s law states that the solubility of a gas in a liquid solution at a constant temperature will be proportional to the partial pressure of the gas which is above the solution (Henry, 1803). Sometimes, the term “air/water partition coefficient” refers to the dimensionless Henry´s law constant (HLC) and therefore describes the ratio of the equilibrium concentration of a dissolved substance in air and water. This parameter is calculated based on the reported experimental vapour pressure and experimental water solubility. A low Henry´s Law Constant (44.4 Pa m3/mol) was calculated for the test item at 20 °C.
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