Registration Dossier
Registration Dossier
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EC number: 226-641-8 | CAS number: 5444-75-7
Henry's Law constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- Henry's law constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated QSAR model
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- H:
- 25.6 Pa m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: Bond estimation
Reference
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
Description of key information
HLC: 25.6 Pa*m3/mol at 25 °C (bond estimation, HENRYWIN v3.20)
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 25.6
- at the temperature of:
- 25 °C
Additional information
No studies investigating the Henry’s Law constant of 2-ethylhexyl benzoate are available. Using the estimation program HENRYWIN v3.20, values of 23.7 (group estimation) and 25.6 (bond estimation) were calculated for the Henry’s Law constant (Blum, 2012).
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