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EC number: 202-219-9 | CAS number: 93-11-8
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Estimated data generated using the EPI Suite model developed by the USEPA.
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Determination of first order hydrolysis rate constant and half live of test chemical using the HYDROWIN v2.00 of EPI suite.
- GLP compliance:
- not specified
- Radiolabelling:
- not specified
- Analytical monitoring:
- not specified
- Estimation method (if used):
- HYDROWIN v2.00
- Positive controls:
- not specified
- Negative controls:
- not specified
- Transformation products:
- not specified
- Key result
- Temp.:
- 25 °C
- DT50:
- > 1.76 - < 25 min
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Hydrolysis rate constant ranges from 0.000462 to 0.00657 /sec
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The half-life of test chemical was determined to be ranges from 1.76 to 25 mins (at 25ᵒC) respectively.
- Executive summary:
HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to determine the hydrolysis half-life of test chemical. The first order hydrolysis rate constant of test chemical was determined to be ranges from 0.000462 to 0.00657 per second with a corresponding half-lives of 1.76 to 25 mins at 25ᵒC, respectively.
Reference
HYDROWIN Program (v2.00) Results:
================================
SMILES : O=S(=O)(c(ccc(c1ccc2)c2)c1)CL
CHEM : 2-Naphthalenesulfonyl chloride
MOL FOR: C10 H7 CL1 O2 S1
MOL WT : 226.68
--------------------------- HYDROWIN v2.00 Results ---------------------------
Hydrolyzable Function detected: Sulfony Halide (aromatic)
R-S(=O)(=O)-Halogen (Cl, Br, I, F)
Experimental data are available for a series of sulfonyl chlorides where
the R is a benzene ring with various substituents. First-order
experimental rate constants (25 deg C) range from 0.000462 to 0.00657
per second which correspond to half-lives of 1.76 to 25 minutes.
Description of key information
HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to determine the hydrolysis half-life of test chemical. The first order hydrolysis rate constant of test chemical was determined to be ranges from 0.000462 to 0.00657 per second with a corresponding half-lives of 1.76 to 25 mins at 25ᵒC, respectively.
Key value for chemical safety assessment
Additional information
HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to determine the hydrolysis half-life of test chemical. The first order hydrolysis rate constant of test chemical was determined to be ranges from 0.000462 to 0.00657 per second with a corresponding half-lives of 1.76 to 25 mins at 25ᵒC, respectively.
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