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Physical & Chemical properties

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:
equivalent or similar to
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of chemical 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material :1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene
- Molecular formula): C16H15ClF2
- Molecular weight : 280.743 g/mol
- Smiles notation : c1(C(c2ccc(cc2)F)CCCCl)ccc(cc1)F
- InChl: 1S/C16H15ClF2/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16H,1-2,11H2
- Substance type: Organic
- Physical state: Liquid
Key result
Water solubility:
0.181 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: estimated value
Conclusions:
The estimated water solubility of chemical 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene at 25 deg C was 0.1813 mg/l
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of the chemical 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene

The estimated water solubility of the 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene at 25 deg C was 0.1813 mg/l

Based on the estimated value, the test substance was slightly soluble in water.

Description of key information

WSKOW v1.42 was used to estimate the water solubility of the chemical1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene

The estimated water solubility of the1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzeneat 25 deg C was 0.1813 mg/l

Based on the estimated value, the test substance was slightly in water.

Key value for chemical safety assessment

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

Additional information

WSKOW v1.42 was used to estimate the water solubility of the chemical1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene

The estimated water solubility of the1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzeneat 25 deg C was 0.1813 mg/l

Based on the estimated value, the test substance was slightly in water.