S-(3-(triethoxysilyl)propyl)octanethioate

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

Principles of method if other than guideline:

Calculation based on HENRYWIN programme v3.20; Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

H:

0.168 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Bond estimation method

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

Conclusions:

Y-15099 has an estimated low volatility and will not evaporate from the water phase into air.

Executive summary:

No experimental result for the determination of the Henry’s Law constant of Y-15099 (CAS 220727-26-4) is available. Therefore, the Henry's Law constant was calculated to be 0.168 Pa m³/mol (Bond estimation method) using a SMILES notation (Müller, 2012). In conclusion, the test substance has only a low volatility and will not evaporate from the water phase to the air.

Description of key information

Henry’s Law constant: < 1 Pa m³/mol.

Key value for chemical safety assessment

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

0.168

Additional information

No experimental studies determining the Henry’s Law constant of Y-15099 (CAS 220727-26-4) and its hydrolysis products are available. Results from HENRYWIN v3.20 indicate low potential for volatilisation of the test substance and its hydrolysis products from water into air based on a Henry’s Law constant of < 1 Pa m³/mole (Bond estimation method) (Müller, 2012).