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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable method

Data source

Referenceopen allclose all

Reference Type:
other: EPIWIN calculation
Title:
Unnamed
Year:
2014
Report date:
2014
Reference Type:
other: Estimation software
Title:
Estimation Programs Interface Suite for Microsoft Windows, v4.11
Author:
US EPA
Year:
2012
Bibliographic source:
United States Environmental Protection Agency, Washington, DC, USA

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation of Henry's Law Constant. Software used: SRC HENRYWIN v3.20: Bond estimation method
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3-nitro-o-xylene
EC Number:
201-474-3
EC Name:
3-nitro-o-xylene
Cas Number:
83-41-0
Molecular formula:
C8H9NO2
IUPAC Name:
1,2-dimethyl-3-nitrobenzene
Test material form:
liquid
Details on test material:
3-Nitro-o-xylene
pure (not specified)

Results and discussion

Henry's Law constant H
H:
2.62 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: The substance is within the applicability domain of the model.

Applicant's summary and conclusion