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Environmental fate & pathways

Henry's Law constant

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Reference
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
Remarks:
Calculation from experimental data, acceptable with restrictions.
Principles of method if other than guideline:
Calculation according to Equation R.16-4 in Chapter R.16: Environmental Exposure Estimation (ECHA 2016).
GLP compliance:
no
Remarks:
Calculation
Key result
H:
0.115 Pa m³/mol
Temp.:
20 °C

Molecular weight: 254.37 g/mol

Vapour pressure: 4.9E-4 Pa at 20°C (experimental data, Klimisch 1)

Water solubility: 1.08 mg/L at 20°C (experimental data, Klimisch 1)

Conclusions:
Henry's law constant for the test substance is calculated to be 0.115 Pa m3/mol at 20°C.
Executive summary:

The Henry's law constant for the test substance was calculated according to ECHA guidance R.16: Environmental exposure assessment (ECHA 2016), using experimental data for water solubility (1.08 mg/L at 20°C) and vapour pressure (4.9E-4 Pa at 20°C). The Henry's law constant is calculated to be 0.115 Pa m3/mol at 20°C. This result is reliable with restrictions (Klimisch 2) as the experimental values were reported from two good quality studies (Klimisch 1).

Description of key information

The Henry's law constant is calculated to be 0.115 Pa m3/mol at 20°C.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0.115
at the temperature of:
20 °C

Additional information

Henry's law constant for the test substance was calculated according to ECHA guidance R.16: Environmental exposure assessment (ECHA 2016), using experimental data for water solubility (1.08 mg/L at 20°C) and vapour pressure (4.9E-4 Pa at 20°C). The Henry's law constant is calculated to be 0.115 Pa m3/mol at 20°C. This result is reliable with restrictions (Klimisch 2) as the experimental values were derived from two good quality studies (Klimisch 1).

The result of 0.115 Pa m3/mol indicates that the substance has a low volatility under environmental conditions.