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EC number: 221-508-0 | CAS number: 3126-80-5
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:
- weight of evidence
- Study period:
- April 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Henrywin
- Justification for type of information:
- No experimental data available. Data needed for PBT assessment and not mandatory according to REACH Regulation Annex VIII. The validity of the model has been evaluated in accordance with the OECD validation principles (OECD, 2004; Worth et al, 2005; OECD, 2007). See attached report.
- Qualifier:
- according to guideline
- Guideline:
- other: Henrywin v3.20
- Version / remarks:
- Computer model
- Principles of method if other than guideline:
- Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.280E-004 atm-m3/mole (2.310E+001 Pa-m3/mole)
VP: 1.93E-015 mm Hg (source: MPBPVP)
WS: 7.83E-012 mg/L (source: WSKOWWIN) - GLP compliance:
- no
- Remarks:
- Computer model
- Specific details on test material used for the study:
- CAS number 3126-80-5
EC number: 221-508-0 - H:
- 0 atm m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: not in applicability domain
- H:
- 0 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: not in apllicability domain
- Key result
- H:
- 0.003 Pa m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: not in applicability domain
- Conclusions:
- Selected Henry's law constant is 2.59E-008 atm-m3/mole
- Executive summary:
Calculated Henry's law constant at 25°C is 2.59E-008 atm-m3/mole(2.62E-003 Pa-m3/mole)(EPI Suite v4.1 software). The substance tetrakis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate is not in the applicability domain of MW range of 26.04 – 451.74, the substance has a MW of 703.02 g/mol.
Reference
Description of key information
Calculated Henry's law constant at 25°C is 2.59E-008 atm-m3/mole(2.62E-003 Pa-m3/mole)(EPI Suite v4.1 software). The test substance tetrakis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate is not in the applicability domain of MW range of 26.04 – 451.74, the substance has a MW of 703.02 g/mol.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0.003
- at the temperature of:
- 25 °C
Additional information
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