Registration Dossier

Diss Factsheets

Physical & Chemical properties

Surface tension

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
surface tension
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:
Predicted data from ACD Labs.
Qualifier:
according to guideline
Guideline:
other: as mentioned below
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of test item and predicted data for surface tension using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: no 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
Surface tension:
31.9 other: dyne/cm
Remarks on result:
other: Estimated value= 31.9 ± 5.0 dyne/cm
Conclusions:
The surface tension for the chemical 4-chloro-1-methylpiperidinium chloride was predicted to be 31.9 ± 5.0 dyne/cm.
Executive summary:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 4-chloro-1-methylpiperidinium chloride was predicted to be 31.9 ± 5.0 dyne/cm.

Description of key information

The surface tension for the chemical 4-chloro-1-methylpiperidinium chloride was predicted to be 31.9 ± 5.0 dyne/cm.

Key value for chemical safety assessment

Surface tension:
31.9

Additional information

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 4-chloro-1-methylpiperidinium chloride was predicted to be 31.9 ± 5.0 dyne/cm.