Registration Dossier
Registration Dossier
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EC number: 229-560-6 | CAS number: 6609-64-9
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 adequate and reliable documentation / justification
- Justification for type of information:
- Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH data gaps.
Data source
Reference
- Reference Type:
- other: (Q)SAR
- Title:
- Unnamed
- Year:
- 2 017
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- GLP compliance:
- no
Test material
- Reference substance name:
- 2-chloro-1,3,2-dioxaphospholane 2-oxide
- EC Number:
- 229-560-6
- EC Name:
- 2-chloro-1,3,2-dioxaphospholane 2-oxide
- Cas Number:
- 6609-64-9
- Molecular formula:
- C2H4ClO3P
- IUPAC Name:
- 2-chloro-1,3,2λ⁵-dioxaphospholan-2-one
- Test material form:
- liquid
Constituent 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- 212.1 g/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: assume neutral pH
- Details on results:
- Water Sol from Kow (WSKOW v1.42) Results:
========================================
Water Sol: 2.121e+005 mg/L
SMILES : O1P(=O)(CL)OCC1
CHEM :
MOL FOR: C2 H4 CL1 O3 P1
MOL WT : 142.48
Water Sol from Kow (WSKOW v1.42) Results:
========================================
Water Sol: 2.121e+005 mg/L
SMILES : O1P(=O)(CL)OCC1
CHEM :
MOL FOR: C2 H4 CL1 O3 P1
MOL WT : 142.48
---------------------------------- WSKOW v1.42 Results ------------------------
Log Kow (estimated) : -0.48
Log Kow (experimental): not available from database
Log Kow used by Water solubility estimates: -0.48
Equation Used to Make Water Sol estimate:
Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction
(used when Melting Point NOT available)
Correction(s): Value
-------------------- -----
No Applicable Correction Factors
Log Water Solubility (in moles/L) : 0.173
Water Solubility at 25 deg C (mg/L): 2.121e+005
Applicant's summary and conclusion
- Conclusions:
- The water solubility of the substance is estimated to be 2.121E05 mg/L, or 212.1 g/L, at 25 °C, according to EPI-Suite v. 4.11 (WSKOW v. 1.42).
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