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Physical & Chemical properties

Density

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Reference
Endpoint:
density, other
Remarks:
Density
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:
Estimated data from ACD/Labs
Qualifier:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of test chemical and estimated data for density using v12.1.0.50375.
GLP compliance:
no
Type of method:
other: Estimated data from ACD/Labs
Specific details on test material used for the study:
- Name of test material : 2,4-bis[(E)-2-(4-dodecylphenyl)diazen-1-yl]benzene-1,3-diol
- Common name : 2,4-bis[(4-dodecylphenyl)azo]resorcinol
- Molecular formula : C42H62N4O2
- Molecular weight : 654.978 g/mol
- Smiles notation : c1(c(c(c(cc1)\N=N\c1ccc(cc1)CCCCCCCCCCCC)O)\N=N\c1ccc(cc1)CCCCCCCCCCCC)O
- InChl: 1S/C42H62N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-29-37(30-26-35)43-45-39-33-34-40(47)41(42(39)48)46-44-38-31-27-36(28-32-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-34,47-48H,3-24H2,1-2H3/b45-43+,46-44+
- Substance type : Organic
- Physical state : Solid
Key result
Type:
density
Density:
1.03 g/cm³
Temp.:
20 °C
Remarks on result:
other: Estimated value. At 760 torr.
Conclusions:
Based on prediction done using ACD/I-Lab 2.0, the density of test chemical was estimated to be 1.03 g/cm3 at temperature 20 Deg C & pressure 760 Torr.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0, the density of test chemical was estimated to be 1.03 g/cm3 at temperature 20 Deg C & pressure 760 Torr.

Description of key information

Based on prediction done using ACD/I-Lab 2.0, the density of test chemical was estimated to be 1.03 g/cm3 at temperature 20 Deg C & pressure 760 Torr.

Key value for chemical safety assessment

Additional information

Based on prediction done using ACD/I-Lab 2.0, the density of test chemical was estimated to be 1.03 g/cm3 at temperature 20 Deg C & pressure 760 Torr.