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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:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Prediction model
Title:
HENRYs LAW CONSTANT by EPI (Estimation Programs Interface) Suite
Author:
Sustainability Support Service (Europe) AB - estimated
Year:
2012
Bibliographic source:
Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.1

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Modelling Database
Principles of method if other than guideline:
HENRYWIN (v3.20) Program
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
4-fluorophenol
EC Number:
206-736-0
EC Name:
4-fluorophenol
Cas Number:
371-41-5
Molecular formula:
C6H5FO
IUPAC Name:
4-fluorophenol
Test material form:
solid: crystalline
Details on test material:
- Name of test material : 4-fluorophenol
-Molecular Formula: C6H5FO
-Molecular weight: 112.1
-Physical state:solid
- Substance type: Organic

Results and discussion

Henry's Law constant H
H:
0.066 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: Henry's Law constant estimated via Bond contribution method

Applicant's summary and conclusion

Conclusions:
Henry's Law states that at a constant temperature, the amount of a given gas that dissolves in a given type and volume of liquid is directly proportional to the partial pressure of that gas in equilibrium with that liquid. Henrys Law Constant of 4-fluorophenol which is a solid at 25 deg C is 0.06626655654 Pa m³/mol
Executive summary:

Henrys Law Constant of 4-fluorophenol at 25 deg C is 0.066266557 Pa m³/mol