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Water solubility

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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
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of test substance 4-((2-Chloro-4-nitrophenyl)azo)-N-ethyl-N-(2-(1-(2-methylpropoxy) ethoxy)ethyl) aniline.
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material: 4-((2-Chloro-4-nitrophenyl)azo)-N-ethyl-N-(2-(1-(2-methylpropoxy)ethoxy)ethyl)aniline
- IUPAC name: 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline
- Molecular formula: C22H29ClN4O4
- Molecular weight: 448.9481 g/mole
- Smiles : CCN(CCOC(C)OCC(C)C)c1ccc(cc1)/N=N/c2ccc(cc2Cl)[N+](=O)[O-]
- Inchl: 1S/C22H29ClN4O4/c1-5-26(12-13-30-17(4)31-15-16(2)3)19-8-6-18(7-9-19)24-25-22-11-10-20(27(28)29)14-21(22)23/h6-11,14,16-17H,5,12-13,15H2,1-4H3/b25-24+
- Substance type: Organic
- Physical state: Solid crystalline powder (white)
Key result
Water solubility:
0 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: estimated value
Conclusions:
The estimated water solubility of test substance 4-((2-Chloro-4-nitrophenyl)azo)-N-ethyl-N-(2-(1-(2-methylpropoxy)ethoxy)ethyl)aniline at 25 deg C was 0.0004828 mg/l.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of the test substance 4-((2-Chloro-4-nitrophenyl)azo)-N-ethyl-N- (2-(1-(2-methylpropoxy)ethoxy)ethyl)aniline.

The estimated water solubility of the test substance 4-((2-Chloro-4-nitrophenyl)azo)-N-ethyl-N-(2-(1-(2-methylpropoxy)ethoxy)ethyl)aniline at 25 deg C was 0.0004828 mg/l.

Based on the estimated value, the test substance 4-((2-Chloro-4-nitrophenyl)azo)-N-ethyl-N-(2-(1-(2-methylpropoxy)ethoxy)ethyl)aniline was considered to be insoluble in water.

Description of key information

The estimated water solubility of test substance 4-((2-Chloro-4-nitrophenyl)azo)-N-ethyl-N-(2-(1-(2-methylpropoxy)ethoxy)ethyl)aniline at 25 deg C was 0.0004828 mg/l.

Key value for chemical safety assessment

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

Additional information

WSKOW v1.42 was used to estimate the water solubility of the test substance 4-((2-Chloro-4-nitrophenyl)azo)-N-ethyl-N- (2-(1-(2-methylpropoxy)ethoxy)ethyl)aniline.

The estimated water solubility of the test substance 4-((2-Chloro-4-nitrophenyl)azo)-N-ethyl-N-(2-(1-(2-methylpropoxy)ethoxy)ethyl)aniline at 25 deg C was 0.0004828 mg/l.

Based on the estimated value, the test substance 4-((2-Chloro-4-nitrophenyl)azo)-N-ethyl-N-(2-(1-(2-methylpropoxy)ethoxy)ethyl)aniline was considered to be insoluble in water.