Registration Dossier

Physical & Chemical properties

Water solubility

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
data is from modelling database
Qualifier:
according to
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of test substance 2-chlorobenzene-1,4-diammonium sulphate.
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material: 2-chlorobenzene-1,4-diammonium sulphate
- IUPAC name: 2-chlorobenzene-1,4-diammonium sulphate
- Molecular formula: C6H7ClN2.xH2O4S
- Molecular weight: 240.6661 g/mole
- Smiles : S(=O)(=O)(O)O.c1(c(ccc(c1)N)N)Cl
- Inchl: 1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)
- Substance type: Organic
- Physical state: Solid (Light grey powder)
Key result
Water solubility:
1 000 000 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: estimated value
Conclusions:
The estimated water solubility of test substance 2-chlorobenzene-1,4-diammonium sulphate at 25 deg C was 1e+006 mg/l.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of the test substance 2-chlorobenzene-1,4-diammonium sulphate.

The estimated water solubility of the test substance 2-chlorobenzene-1,4-diammonium sulphate at 25 deg C was 1e+006 mg/l.

Based on the estimated value, the test substance 2-chlorobenzene-1,4-diammonium sulphate was considered to be very soluble in water.

Description of key information

The estimated water solubility of test substance 2-chlorobenzene-1,4-diammonium sulphate at 25 deg C was 1e+006 mg/l.

Key value for chemical safety assessment

Water solubility:
1 000 000 mg/L
at the temperature of:
25 °C

Additional information

WSKOW v1.42 was used to estimate the water solubility of the test substance 2-chlorobenzene-1,4-diammonium sulphate.

The estimated water solubility of the test substance 2-chlorobenzene-1,4-diammonium sulphate at 25 deg C was 1e+006 mg/l.

Based on the estimated value, the test substance 2-chlorobenzene-1,4-diammonium sulphate was considered to be very soluble in water.