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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
(Q)SAR
Adequacy of study:
other information
Study period:
2004
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

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2004

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: ECHA Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
Deviations:
no
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-chlorobenzothiazole
EC Number:
210-415-0
EC Name:
2-chlorobenzothiazole
Cas Number:
615-20-3
Molecular formula:
C7H4ClNS
IUPAC Name:
2-chloro-1,3-benzothiazole
Details on test material:
not applicable

Results and discussion

Henry's Law constant Hopen allclose all
H:
2.18 Pa m³/mol
Temp.:
25 °C
Atm. press.:
1 013 hPa
Remarks on result:
other: calculated with the water solubility of 311 mg/l and a vapour pressure value of 4.04 Pa. Atmospheric pressure for gas phase estimated by IUCLID editor
H:
0.028 Pa m³/mol
Temp.:
25 °C
Atm. press.:
1 013 hPa
Remarks on result:
other: calculated by the Bond Method. Atmospheric pressure for gas phase estimated by IUCLID editor
Remarks on result:
other: Calculation by the Group Method was not possible due to incomplete data

Any other information on results incl. tables

preferred result is 2.2 Pa m³/mol

Applicant's summary and conclusion

Conclusions:
Results at 25°C:
The Henry constant for the phase transfer of the substance between water - air (volatility) is 2.18 Pa x m3/mol (calculated with the water solubility of
311 mg/l and a vapour pressure value of 4.04 Pa)
Using the Bond Method, the calculated Henry constant is 0.028 Pa x m3/mol. Calculation by the Group Method was not possible due to incomplete data.