Registration Dossier

Administrative data

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:
accepted calculation method

Data source

Referenceopen allclose all

Reference Type:
other: unpublished calculation
Title:
Unnamed
Year:
2017
Reference Type:
other: compilation of physico-chemical, environmental, and ecotoxicological information in a database
Title:
Danish (Q)SAR Database: 3,7-Dimethyloctane-1,7-diol
Author:
Technical University of Denmark (DTU)
Year:
2017
Bibliographic source:
Danish (Q)SAR Database, Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark, http://qsar.food.dtu.dk

Materials and methods

Principles of method if other than guideline:
Henrys Law constant of hydroxycitronellol was calculated using EPIWIN v4.11, HENRYWIN v3.20.
GLP compliance:
no

Test material

Test material form:
liquid

Results and discussion

Henry's Law constant Hopen allclose all
H:
0.128 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: calculated via Bond Method
H:
0 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: calculated via Group Method

Applicant's summary and conclusion

Conclusions:
The calculation of Henrys Law Constant yielded values of 0.128 (Bond Method) and 0.000116 Pa x m³/mol (Group Method) at 25°C each.
Executive summary:

Henrys Law Constant was calculated using EPIWIN v4.11, HENRYWIN v3.20. Henrys Law Constants of 0.128 and 0.000116 Pa x m³/mol at 25°C each were calculated using the Bond and Group Method, respectively