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Environmental fate & pathways

Henry's Law constant

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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:
2009

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
Name:
Unnamed
Type:
Constituent
Details on test material:
C18-20, 40-52% Cl (liquid)

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