Registration Dossier
Registration Dossier
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EC number: 939-783-7 | CAS number: -
Henry's Law constant
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:
- 2 010
- 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 substance name:
- Diisotridecyl adipate
- EC Number:
- 247-660-8
- EC Name:
- Diisotridecyl adipate
- Cas Number:
- 26401-35-4
- IUPAC Name:
- bis(11-methyldodecyl) adipate
- Details on test material:
- - Name of test material (as cited in study report): diisotridecyl adipate
Constituent 1
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.
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