Registration Dossier

Diss Factsheets

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:
2011
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:
Principles of method if other than guideline:
HENRYWIN (v3.20) Program
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[(3-aminophenyl)sulphonyl] hydrogensulphate
EC Number:
219-668-1
EC Name:
2-[(3-aminophenyl)sulphonyl] hydrogensulphate
Cas Number:
2494-88-4
Molecular formula:
C8H11NO6S2
IUPAC Name:
[2-(3-aminobenzenesulfonyl)ethoxy]sulfonic acid

Results and discussion

Henry's Law constant Hopen allclose all
H:
0 atm m³/mol
Temp.:
25 °C
Remarks on result:
other: = 6.46E-017 atm-m3/mole
H:
0 dimensionless
Temp.:
25 °C
Remarks on result:
other: =2.64E-015 unitless
H:
0 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: = 6.55E-012 Pa-m3/mole

Applicant's summary and conclusion

Conclusions:
HENRYs LAW CONSTANT at 25 deg C
= 6.46E-017 atm-m3/mole
= 2.64E-015 unitless
= 6.55E-012 Pa-m3/mole