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Physical & Chemical properties

Surface tension

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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:
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: 2-chlorobenzene-1,4-diammonium sulphate
- IUPAC name: 2-chlorobenzene-1,4-diammonium sulphate
- Molecular formula: C6H7ClN2.xH2O4S
- Molecular weight: 240.6661 g/mole
- Smiles : S(=O)(=O)(O)O.c1(c(ccc(c1)N)N)Cl
- Inchl: 1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)
- Substance type: Organic
- Physical state: Solid (Light grey powder)
Key result
Surface tension:
79 other: dyne/cm
Remarks on result:
other: Estimated value=79.0 ± 3.0 dyne/cm
Conclusions:
Based on the prediction done by ACD labs, the surface tension for chemical 2-chlorobenzene-1,4-diammonium sulphate was predicted to be 59.9 ± 3.0 dyne/cm.
Executive summary:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 2-chlorobenzene-1,4-diammonium sulphate was predicted to be 59.9 ± 3.0 dyne/cm.

Description of key information

Based on the prediction done by ACD labs, the surface tension for chemical 2-chlorobenzene-1,4-diammonium sulphate was predicted to be 59.9 ± 3.0 dyne/cm.

Key value for chemical safety assessment

Surface tension:
59.9

Additional information

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 2-chlorobenzene-1,4-diammonium sulphate was predicted to be 59.9 ± 3.0 dyne/cm.