Registration Dossier

Administrative data

Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
January 2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2010
Report Date:
2010

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
(Q)SAR calculations using the bond contribution and the group contribution method, calculation program US EPA EPI Suite v4.00, component HENRYWIN (v3.20)

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): diisotridecyl adipate

Results and discussion

Henry's Law constant Hopen allclose all
H:
8.89 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: calculated with the bond contribution method
H:
6.83 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: calculated with the group contribution method

Applicant's summary and conclusion

Executive summary:

The Henry's law constant of diisotridecyl adipate was calculated with the program HENRYWIN v 3.20 (Part of US EPA EPI Suite v4.00). The calculation resulted in an HLC of 8.89 Pa*m3/mol for a temperature of 25 °C using the method of bond contribution values (MWC, 2010).

 

Alternatively, using the method of group contribution values the HLC was calculated to be 6.83 Pa*m3/mol.