Registration Dossier

Administrative data

Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: calculated result with the software program HENRYWIN, Version 3.2, which is part of the software package EPIWIN 4.0 Suite, Version 4.0.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: QSAR-method
Deviations:
yes
Remarks:
QSAR-method
Principles of method if other than guideline:
calculated result with the software program HENRYWIN, Version 3.2, which is part of the software package EPIWIN 4.0 Suite, Version 4.0.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
L-threonine
EC Number:
200-774-1
EC Name:
L-threonine
Cas Number:
72-19-5
Molecular formula:
C4H9NO3
IUPAC Name:
(2S)-2-amino-3-hydroxybutanoic acid

Results and discussion

Henry's Law constant H
H:
0 Pa m³/mol
Temp.:
25 °C

Any other information on results incl. tables

calculated result with the software program HENRYWIN, Version 3.2, which is part of the software package EPIWIN 4.0 Suite, Version 4.0.

Applicant's summary and conclusion

Conclusions:
result of Henry's Law constant shows 7.24E-14 atm-m3/mole, 2.96E-12 unitless and 7.34E-9 Pa-m3/mole at 25°C (calculated result with the software program HENRYWIN, Version 3.2, which is part of the software package EPIWIN 4.0 Suite, Version 4.0.)