Registration Dossier

Administrative data

Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
7 July 1993 - 28 September 1994
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1995
Report Date:
1995

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: Calculation method
Deviations:
not applicable
Principles of method if other than guideline:
An estimate of Henry's Law Constant at 25°C was made by calculation using the bond concentration method.
GLP compliance:
yes

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
The structure of simazine was entered into the program using the following SMILES notation: c1(CL)nc(NCC)nc(NCC)n1

Results and discussion

Henry's Law constant Hopen allclose all
Key result
H:
0 dimensionless
Temp.:
25 °C
H:
0 atm m³/mol
Temp.:
25 °C

Any other information on results incl. tables

The unitless Henry's Law Constant at 25°C obtained using the programme was 1.378 x 10^-7 (or 3.369 x 10^-9 atm.m3 mole-1). This result indicates that simazine does not readily partition from water into air.

Applicant's summary and conclusion

Conclusions:
Henry's Law Constant at 25°C was calculated to be 1.378 x 10^-7. This result indicates that simazine does not readily partition from water into air.