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EC number: 216-938-0 | CAS number: 1703-58-8
Density
Administrative data
Link to relevant study record(s)
- 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:
- 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 the chemical Butane-1,2,3,4-tetracarboxylic acid and predicted data for density using v12.1.0.50375.
- GLP compliance:
- not specified
- Type of method:
- other: Predicted data from ACD/Labs
- Specific details on test material used for the study:
- Name of the test chemical: Butane-1,2,3,4-tetracarboxylic acidMolecular Formula: C8H10O8Molecular Weight: 234.159 g/molSmile Notation: OC(=O)C[C@H]([C@H](CC(=O)O)C(=O)O)C(=O)OInChI : 1S/C8H10O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t3-,4+Substance type: organic Physical state: Solid
- Key result
- Type:
- density
- Density:
- 1.674 g/cm³
- Temp.:
- 20 °C
- Remarks on result:
- other: Estimated value = 1.674 ± 0.06 g/cm3
- Conclusions:
- Based on prediction done using ACD/I-Lab 2.0,the density of substance Butane-1,2,3,4-tetracarboxylic acid was estimated to be 1.674±0.06 g/cm3 at 20 degree C
- Executive summary:
Based on prediction done using ACD/I-Lab 2.0,the density of substance Butane-1,2,3,4-tetracarboxylic acid was estimated to be 1.674±0.06 g/cm3 at 20 degree C
Reference
Description of key information
Based on prediction done using ACD/I-Lab 2.0,the density of substance Butane-1,2,3,4-tetracarboxylic acid was estimated to be 1.674±0.06 g/cm3 at 20 degree C
Key value for chemical safety assessment
- Relative density at 20C:
- 1.674
Additional information
Based on prediction done using ACD/I-Lab 2.0,the density of substance Butane-1,2,3,4-tetracarboxylic acid was estimated to be 1.674±0.06 g/cm3 at 20 degree C
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