Registration Dossier
Registration Dossier
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EC number: 264-150-0 | CAS number: 63449-39-8
Henry's Law constant
Administrative data
- Endpoint:
- Henry's law constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: estimated data based on calculations
Data source
Reference
- Reference Type:
- publication
- Title:
- Environmental Risk Evaluation Report: Long-Chain Chlorinated Paraffins.
- Author:
- UK Environment Agency
- Year:
- 2 009
Materials and methods
- Principles of method if other than guideline:
- other: Syracuse Research Corporation Henry (version 3.00) program, which estimates Henry’s law constant via a bond contribution method, a group contribution method, and an “experimental value adjusted” (EVA) method.
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Paraffin waxes and Hydrocarbon waxes, chloro
- EC Number:
- 264-150-0
- EC Name:
- Paraffin waxes and Hydrocarbon waxes, chloro
- Cas Number:
- 63449-39-8
- Molecular formula:
- C18H33Cl5 C18H30Cl8 C20H36Cl6 C20H33Cl9 C25H45Cl7 C25H42Cl10 C25H29C23 C30H53Cl9 C30H49Cl13 C30H35Cl27
- IUPAC Name:
- Paraffin waxes and Hydrocarbon waxes (C18 and longer), chloro
- Details on test material:
- C18-20, 40-52% Cl (liquid)
Constituent 1
Results and discussion
Henry's Law constant H
- H:
- other: see table in remarks on results
Any other information on results incl. tables
Formula |
Chlorine Content (%wt Cl) |
Bond Contribution Method |
Group Contribution Method |
EVA method (four estimates) |
C18H33Cl5 |
41.6 |
5,005 |
0.084 |
210, 60, 16, 155 Mean = 110±88 |
C18H30Cl8 |
53.6 |
219 |
1.2 x 10-6 |
9.2, 2.6, 0.7, 6.7 Mean = 4.8±3.9 |
C20H36Cl6 |
43.6 |
3,101 |
0.004 |
131, 37, 10, 96 Mean = 69±55 |
C20H33Cl9 |
53.9 |
136 |
6.1 x 10-8 |
5.7, 1.6, 0.4, 4.2 Mean = 3.0±2.4 |
Applicant's summary and conclusion
- Conclusions:
- Used for data submission
- Executive summary:
Used for data submission
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