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:
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 test substance 4-chloro-1-methylpiperidinium chloride
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material: 4-chloro-1-methylpiperidinium chloride
- IUPAC name: 4-chloro-1-methylpiperidin-1-ium chloride
- Molecular formula: C6H13Cl2N
- Molecular weight: 170.0817 g/mole
- Smiles : CN1CCC(CC1)Cl.Cl
- Inchl: 1S/C6H12ClN.ClH/c1-8-4-2-6(7)3-5-8;/h6H,2-5H2,1H3;1H
- Substance type: Organic
- Physical state: Solid crystal powder (White - Slightly pale yellow)
Key result
Water solubility:
15 380 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: no other details available
Conclusions:
The estimated water solubility of substance 4-chloro-1-methylpiperidinium chloride at 25 deg C was 15380 mg/l.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of the substance 4-chloro-1-methylpiperidinium chloride.

The estimated water solubility of the substance 4-chloro-1-methylpiperidinium chloride at 25 deg C was 15380 mg/l.

Based on the estimated value, the substance 4-chloro-1-methylpiperidinium chloride was considered to be very soluble in water.

Description of key information

The estimated water solubility of test substance 4-chloro-1-methylpiperidinium chloride at 25 deg C was 15380 mg/l.

Key value for chemical safety assessment

Water solubility:
15 380 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-chloro-1-methylpiperidinium chloride.

The estimated water solubility of the test substance 4-chloro-1-methylpiperidinium chloride at 25 deg C was 15380 mg/l.

Based on the estimated value, the test substance 4-chloro-1-methylpiperidinium chloride was considered to be very soluble in water.