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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 databases
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 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine
- Molecular formula: C13H18Cl2N2
- Molecular weight: 273.205 g/mol
- Smiles notation: N1(c2cc(Cl)ccc2)CCN(CC1)CCCCl
- InChl: 1S/C13H18Cl2N2/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13/h1,3-4,11H,2,5-10H2
- Substance type: Organic
- Physical state: Solid
Key result
Water solubility:
140.1 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: estimated data
Conclusions:
The estimated water solubility of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine at 25 deg C was 140.1 mg/l
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.

The estimated water solubility of1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine at 25 deg C was 140.1 mg/l.

This value suggests that 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is moderately soluble in water.

Description of key information

WSKOW v1.42 was used to estimate the water solubility of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.

The estimated water solubility of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine at 25 deg C was 140.1 mg/l.

This value suggests that 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is moderately soluble in water.

Key value for chemical safety assessment

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

Additional information

WSKOW v1.42 was used to estimate the water solubility of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.

The estimated water solubility of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine at 25 deg C was 140.1 mg/l.

This value suggests that 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is moderately soluble in water.

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