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EC number: 203-517-1 | CAS number: 107-74-4
Henry's Law constant
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- other: unpublished calculation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:
- 2 017
- 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:
- 2 017
- 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
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