Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification
Justification for type of information:
ACD/Labs Percepta Platform - PhysChem Module

SMILES ClC(Cl)C(=O)Cl

SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The model fulfils the OECD principles for (Q)SAR model validation.
- Defined endpoint: Vapour pressure
- The data is published in the data base ChemSpider

APPLICABILITY DOMAIN
The substance falls within the applicability domain of the model; there is no contrary information.

Data source

Reference
Reference Type:
publication
Title:
Chemspider data base
Year:
2020
Bibliographic source:
http://www.chemspider.com

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
GLP compliance:
no
Type of method:
other: QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
Dichloroacetyl chloride
EC Number:
201-199-9
EC Name:
Dichloroacetyl chloride
Cas Number:
79-36-7
Molecular formula:
C2HCl3O
IUPAC Name:
2,2-dichloroacetyl chloride
Test material form:
liquid

Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
27 mm Hg

Applicant's summary and conclusion

Conclusions:
The predicted vapour pressure, using the ACD/Labs Percepta Platform - PhysChem Module is 27 mmHg a 25°C.