L-menthyl acetate

Henry's Law constant

Link to relevant study record(s)

Reference

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:

results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

H:

100 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Bond estimation

H:

84 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Group estimation

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables". 

Description of key information

Henry's Law constant: 84 Pa m³/mole (HenryWin v3.20, Group estimation method), 100 Pa m³/mole (HenryWin v3.20, Bond estimation method).

As key value for chemical safety assessment the mean value of 92 of both calculations was used.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):

92

at the temperature of:

25 °C

Additional information

No experimental studies are available determining the Henry’s Law constant (HLC) of the target substance (L-menthyl acetate, CAS 2623-23-6). Therefore, the HLC was estimated using HenryWin v3.20 (EPI Suite v4.11). The group-estimation method resulted in a HLC of 84 Pa m³/mole at 25 °C whereas the bond estimation method resulted in a HLC of 100 Pa m³/mole at 25 °C.

Both values indicate that the substance has a potential for volatilization.