Registration Dossier
Registration Dossier
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EC number: 820-780-3 | CAS number: 62568-82-5
Henry's Law constant
Administrative data
- 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:
- accepted calculation method
- Justification for type of information:
- Reliable experimental data are available for the vapor pressure and water solubility of the substance. The Henry's Law constant can be calculated from these data using an accepted calculation method.
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Data source
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- The Henry's Law constant (HLC) is directly related to the vapor pressure and water solubility of a pure substance. HLC at a specific temperature can be calculated as the ratio of the vapor pressure of the pure substance to its water solubility at the same temperature.
- GLP compliance:
- no
Test material
- Reference substance name:
- butanedioic acid, 2-octenyl
- EC Number:
- 820-780-3
- Cas Number:
- 62568-82-5
- Molecular formula:
- C12 H20 O4
- IUPAC Name:
- butanedioic acid, 2-octenyl
Constituent 1
Results and discussion
Henry's Law constant H
- Key result
- H:
- 0 Pa m³/mol
- Temp.:
- 25 °C
Any other information on results incl. tables
The Henry's Law constant (HLC) value is 4.1E-04 Pa-m3/mole (4.0E-09 atm-m3/mole), which was calculated from the experimental values of vapor pressure (VP) and water solubility (WS) of the substance as follows:
VP (25 C) = 0.0016 Pa; WS (20 C) = 900 mg/L or 0.0039 moles/dm3
HLC = VP/WS = (0.0016 Pa)/(0.0039 moles/dm3)(1 m3/1000 dm3) = 4.1E-4 m3-Pa/mole
Although the reported water solubility was corresponding to 20 C, not 25 C, the resulting error in the HLC is considered acceptable.
Applicant's summary and conclusion
- Conclusions:
- The Henry's Law constant was determined to be 4.1E-04 Pa-m3/mole (4.0E-09 atm-m3/mole) at 25 C using an acceptable calculation method.
- Executive summary:
The Henry's Law constant was determined to be 4.1E-04 Pa-m3/mole (4.0E-09 atm-m3/mole) at 25 C using an acceptable calculation method.
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