Registration Dossier

Administrative data

Endpoint:
relative density
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
March 11, 2010 - March 11, 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Density estimated using the formula recommended in the REACH Guidance, Chapter R.7A, e.g. Abraham and McGowan (1987).

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
The use of characteristic volumes to measure cavity terms in reversed phase liquid chromatography.
Author:
Abraham and McGowan
Year:
1987
Bibliographic source:
Chromatographia 23, 243-246 (as cited in the REACH Guidance, Chapter R.7A.)
Reference Type:
review article or handbook
Title:
Densities of vapours, liqids and solids.
Author:
Nelken LH
Year:
1990
Bibliographic source:
Lyman W, Reehl W and Rosenblatt D (Eds). Handbook of Chemical Property Estimation Methods. American Chemical Society, Washington, D.C. pp. 19.1-19.24. (As cited in REACH Gudiance Chapter R.7A)
Reference Type:
review article or handbook
Title:
Handbood for estimating physico-chemical properties of organic compounds.
Author:
Reinhard M and Drefahl A
Year:
1999
Bibliographic source:
New York: Wiley. (As cited in REACH Guidance, Chapter R.7A)

Materials and methods

Principles of method if other than guideline:
Density estimated using the formula recommended in the REACH Guidance, Chapter R.7A, e.g. Abraham and McGowan (1987).
GLP compliance:
no
Type of method:
other: estimated

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid

Results and discussion

Density
Key result
Type:
relative density
Density:
2.67 g/cm³
Temp.:
20 °C

Any other information on results incl. tables

DBDPEthane's characteristic volume was calculated using the atomic and bond contributions given in the REACH Guidance, Chapter R.7A. Its relative density was calculated by dividing the molecular weight by its characteristic volume.

Applicant's summary and conclusion

Conclusions:
DBDPEthane's calculated relative density (2.67 gm/cm3) indicates it will sink in water.
Executive summary:

DBDPEthane's characteristic volume was calculated to be 363.66 cm3/mol. The characteristic volume is closely correlated with molar volume. The REACH Guidance (Chapter R.7A) states that relative density can be predicted by the molecular weight divided by the molar volume. DBDPEthane's relative density is calculated to be 2.67 gm/cm3) by this method. DBDPEthane's water solubility is low (<the 50 g/L given in the REACH Guidance), and its calculated density indicates it will sink in water.