Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
density
Remarks:
density
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on SPARC online calculator v 4.6, University of Georgia (http://archemcalc.com/sparc/)
GLP compliance:
no
Type of method:
other: QSAR
Key result
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
Remarks:
density
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation with use of SPARC online calculator v 4.6, self interaction physical process models for estimation of saturated vapour pressure.
GLP compliance:
no
Type of method:
other: QSAR
Key result
Type:
density
Density:
0.92 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

0.92 - 0.93 g/cm³ at 20 °C based on read-across from supporting substance (structural analogue or surrogate).

Key value for chemical safety assessment

Relative density at 20C:
0.92

Additional information

The density of the substance Decanoic acid, mixed esters with neopentyl glycol and octanoic acid (CAS 70693-32-2) was determined by QSAR calculation with SPARC (v4.6) for the single components.