Registration Dossier
Registration Dossier
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EC number: 201-195-7 | CAS number: 79-31-2
Other distribution data
Administrative data
- Endpoint:
- other distribution data
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: accepted calculation method
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation of volatilization from water according to Thomas RG (1990, Volatilization from water. In: Handbook of Chemical Property Estimation Methods. Lyman, W.J. et al. (eds), Washington, DC: American Chemical Society, Chapter 15) based on a measured HLC (Khan and Brimblecombe 1992, see Chapt. 5.4.2)
- Type of study:
- other: calculation method
- Media:
- water - air
Test material
- Reference substance name:
- Isobutyric acid
- EC Number:
- 201-195-7
- EC Name:
- Isobutyric acid
- Cas Number:
- 79-31-2
- Molecular formula:
- C4H8O2
- IUPAC Name:
- 2-methylpropanoic acid
- Details on test material:
- - Name of test material (as cited in study report): Propanoic acid, 2-methyl-
Constituent 1
Results and discussion
Any other information on results incl. tables
Henry's Law Constant (HLC) at 25 °C: 8.85 E-07 atm*m³/mol = 0.0897 Pa*m³/mol
Using this HLC and the conditions indicated below the following half-lives for volatilization from rivers and lakes were calculated:
River |
Lake |
|
Water depth (m) |
1 |
1 |
Wind velocity (m/sec) |
5 |
0.5 |
Current velocity (m/sec) |
1 |
0.05 |
Half-life (hours) |
621.9 |
6864 |
Half-life (days ) |
25.91 |
286 |
Applicant's summary and conclusion
- Conclusions:
- An experimental Henry's Law Constant (HLC) of 0.0897 Pa*m³/mol at 25 °C was reported from the EPIWIN database. Taking this value, volatilization half-lives of 26 and 286 days were estimated for a model river and a model lake, respectively.
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