Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 201-255-2 | CAS number: 80-17-1
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Data source
Referenceopen allclose all
- Reference Type:
- other: QSAR-tool
- Title:
- Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11: (WSKOW v1.42)
- Author:
- United States Environmental Protection Agency, Washington, DC, USA.
- Bibliographic source:
- http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
- Reference Type:
- review article or handbook
- Title:
- Exploring QSAR - Hydrophobic, Electronic, and Steric Constants
- Author:
- Hansch, C., Leo, A., D. Hoekman
- Year:
- 1 995
- Bibliographic source:
- Washington, DC: American Chemical Society., 1995
Materials and methods
- Principles of method if other than guideline:
- WSKOW accepts experimental Log Kow and MP values, and its accuracy greatly improved if an experimental MP is entered.
Results and discussion
Water solubility
- Key result
- Water solubility:
- 47 850 mg/L
- Temp.:
- 25 °C
Any other information on results incl. tables
Water Sol from Kow (WSKOW v1.42) Results:
========================================
Water Sol: 4.785e+004 mg/L
SMILES : c1ccc(cc1)S(=O)(=O)NN
CHEM : Benzenesulphonohydrazide
MOL FOR: C6 H8 N2 O2 S1
MOL WT : 172.20
---------------------------------- WSKOW v1.42 Results ------------------------
Log Kow (estimated) : 0.01
Log Kow (experimental): -0.14
Cas No: 000080-17-1
Name : BENZENESULFONIC ACID HYDRAZIDE
Refer : HANSCH,C ET AL.(1995)
Log Kow used by Water solubility estimates: 0.00 (user entered)
Equation Used to Make Water Sol estimate:
Log S (mol/L) = 0.693-0.96 log Kow-0.0092(Tm-25)-0.00314 MW + Correction
Melting Pt (Tm) = 102.00 deg C (Use Tm = 25 for all liquids)
Correction(s): Value
-------------------- -----
No Applicable Correction Factors
Log Water Solubility (in moles/L) : -0.556
Water Solubility at 25 deg C (mg/L): 4.785e+004
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
