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:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated value obtained using validated software (EPIWIN) with user-supplied data from all other applicable studies such as partition coefficient, water solubility and adsorption coefficient.

Data source

Materials and methods

Principles of method if other than guideline:
Calculated values obtained from validated software.
GLP compliance:
no
Remarks:
Calculated values

Test material

Constituent 1
Chemical structure
Reference substance name:
(Z)-docos-13-enamide
EC Number:
204-009-2
EC Name:
(Z)-docos-13-enamide
Cas Number:
112-84-5
Molecular formula:
C22H43NO
IUPAC Name:
(Z)-docos-13-enamide

Results and discussion

Henry's Law constant H
H:
0 atm m³/mol
Temp.:
25 °C
Atm. press.:
1 atm
Remarks on result:
other: Value obtained from EPIWEB 4.0 with the following user-supplied data: melting point, 83 °C; water solubility, 0.000738 mg/l; partition coefficient, 8.0.

Applicant's summary and conclusion