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Henry's Law constant

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Reference
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.

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