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Environmental fate & pathways

Henry's Law constant

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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: Calculation based on a measured water solubility value and vapour pressure
Principles of method if other than guideline:
Calculated from the measured water solubility and vapour pressure
GLP compliance:
no
Key result
H:
0.001 Pa m³/mol
Temp.:
25 °C
Executive summary:

Henry's law constant for the analogue substance was calculated to be 8.7E-04 Pa.m3/mol at 25 °C based on experimental water solubility and vapour pressures . This value indicates a low rate of volatilisation from surface water is expected.

Endpoint:
Henry's law constant
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: analogue substance
Justification for type of information:
Calculation of Henry’s Law constant is not required because available data indicate that structural variation does not influence test results or adverse effect profile (see read-across and category justifications attached in Section 13).
Reason / purpose for cross-reference:
read-across source
H:
0.001 Pa m³/mol
Temp.:
25 °C

Description of key information

Henry's law constant for the analogue substance was calculated to be 8.7E-04Pa.m3/mol at 25 °C based on experimental water solubility and vapour pressures. This value indicates a low rate of volatilisation from surface water is expected.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0.001
at the temperature of:
25 °C

Additional information

There is no specific data on the substance. Read-across to the physico-chemical properties of Hexanoic acid, 3,5,5-trimethyl-, 1,1'-[2-ethyl-2-[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl] ester (EC 613-848-7, CAS65870-94-2) is applicable based on the similarity in structure and physico-chemical properties. The justification for read-across is presented in Section 13 Assessment reports- Read-across justification.

Henry's law constant for the analogue substance was calculated to be 8.7E-04 Pa.m3/mol at 25 °C based on experimental water solubility and vapour pressures . This value indicates a low rate of volatilisation from surface water is expected.