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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:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Acceptable, well documented publication/study report which meets basic scientific principles

Data source

Reference
Reference Type:
publication
Title:
Henry's Law Constants for a Diverse Set of Organic Chemicals: Experimental Determination and Comparison of Estimation Methods
Author:
Altschuh J, Brueggemann R, Santl H, Eichinger G, Piringer OG
Year:
1999
Bibliographic source:
Chemosphere 39, 1871 1887

Materials and methods

Principles of method if other than guideline:
Thermodynamic method according to Brunner et al. (1990) and Piringer and Skoeries (1984).
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
3-nitrotoluene
EC Number:
202-728-6
EC Name:
3-nitrotoluene
Cas Number:
99-08-1
Molecular formula:
C7H7NO2
IUPAC Name:
1-methyl-3-nitrobenzene
Details on test material:
- Name of test material (as cited in study report): 1-Methyl-3-Nitrobenzene
- Analytical purity: no data

Results and discussion

Henry's Law constant H
H:
0 dimensionless
Temp.:
25 °C

Any other information on results incl. tables

The dimensionless HLC is reported to be 0.00038, which corresponds to 0.94 Pa m3/mol.

Applicant's summary and conclusion