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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Density

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Endpoint:
density, other
Remarks:
density
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Basic data given. Certificate of Analysis.
Qualifier:
according to guideline
Guideline:
other: ISO 2099 1972
GLP compliance:
no
Type of method:
pycnometer method
Type:
density
Density:
878 kg/m³
Temp.:
80 °C
Endpoint:
density, other
Remarks:
density
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
ARChem SPARC. version 4.5

2. MODEL
Properties - Density

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables".

5. APPLICABILITY DOMAIN
See information provided in "Any other information of materials and methods incl. tables".

6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section.
Principles of method if other than guideline:
Calculation based on SPARC online calculator v 4.5, University of Georgia (http://archemcalc.com/sparc/)
GLP compliance:
no
Type of method:
other: QSAR
Type:
density
Density:
0.93 g/cm³
Temp.:
20 °C

For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

Endpoint:
density, other
Remarks:
density
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
ARChem SPARC. version 4.5

2. MODEL
Properties - Density

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables".

5. APPLICABILITY DOMAIN
See information provided in "Any other information of materials and methods incl. tables".

6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section.
Principles of method if other than guideline:
Calculation based on SPARC online calculator v 4.5, University of Georgia (http://archemcalc.com/sparc/)
GLP compliance:
no
Type of method:
other: QSAR
Type:
density
Density:
0.93 g/cm³
Temp.:
20 °C

For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

Description of key information

0.93 g/cm³ at 20 °C

Key value for chemical safety assessment

Additional information

The density of the substance 1,2 -Benzenedicarboxylic acid, di-C16 -18 -alkyl esters (CAS 90193 -76 -3) was determined by QSAR calculation with SPARC (v4.5) for the single components.

Another determination of density was performed at 80 °C according to ISO 2099 1972 using the capillary method (0.878 g/cm³ at 80 °C).