Registration Dossier

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: Acceptable calculation method using measured physical chemical properties.

Data source

Reference
Reference Type:
other: REACH Guidance
Title:
Chapter R.16: Environmental Exposure Estimation (Version 2; May 2010)
Author:
European Chemicals Agency
Year:
2010
Bibliographic source:
Guidance on Information, Requirements, and Chemical Safety Assessment
Report Date:
2010

Materials and methods

Principles of method if other than guideline:
A Henry's Law constant was calculated for the test substance from measured vapour pressure (1.17E-002 Pa at 20°C) and water solubility (1.00E6 mg/L) and molecular weight (347.09 amu = g/mol) using EQUATION R.16-4 in the REACH guidance R.16 (Chapter R.16.5.3.2)

Henry = (VP*MW)/SOL

VP = Vapour Pressure, Pa
MW = Molecular Weight, g/mol
SOL = Water Solubility, mg/L
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Henry's Law constant H
Remarks on result:
other: 4.06E-06 Pa m³/mol (This value indicates that the test substance would not readily volatilize from water. For chemicals with H values less than 0.01 Pa m3/mole, the chemical is less volatile than water.)

Applicant's summary and conclusion

Conclusions:
Calculated HLC of 4.06E-6 Pa*m3/mol indicates the test substance would not readily volatilize from water.
Executive summary:

Henry Law Constant (H) of 4.06E-06 Pa-m3/mole was calculated using Equation R.16-4 in Chapter R.16.5.3.2 and measured vapour pressure and water-solubility values. For chemicals with H values less than 0.01 Pa m3/mole, the chemical is less volatile than water. Additionally, the test substance has two measured pKa values at 3.82 and 8.10 and will be present in the environment predominately as the dissociated ion. In such a form, the vapour pressure is essentially zero and its presence in air is unlikely. The test substance emitted to water is expected to remain in the water phase. The test substance emitted to soil is expected to partition to water and have a high to very high mobility to ground water due to its low volatility and low adsorption to soil (low koc). The test substance emitted to air is expected to partition to water in the air and return to the ground through wet-deposition.