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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:
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

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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