Monopentaerythritol tetraesters and dipentaerythritol hexaesters of 3,5,5-trimethylhexanoic, n-heptanoic, n-octanoic and n-decanoic acids

Henry's Law constant

Link to relevant study record(s)

Reference

Reference 1

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.

Reference 2

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.