Registration Dossier
Registration Dossier
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EC number: 267-466-7 | CAS number: 67874-37-7
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- It is not possible to measure the water solubility of this substance using standard methods given its hydrolytic instability. A calcuation method, using an accepted model, was used instead.
Data source
Reference
- Reference Type:
- other: Modelled Data
- Title:
- EPISUITE v4.1 Results for Phenyl Diisotridecyl Phosphite
- Author:
- U.S. EPA
- Year:
- 2 018
- Bibliographic source:
- U.S. EPA EPISUITE
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Modelled data using acceptable model.
- GLP compliance:
- no
- Type of method:
- other: Modelled data
Test material
- Reference substance name:
- Diisotridecyl phenyl phosphite
- EC Number:
- 267-466-7
- EC Name:
- Diisotridecyl phenyl phosphite
- Cas Number:
- 67874-37-7
- Molecular formula:
- C32H59O3P
- IUPAC Name:
- diisotridecyl phenyl phosphite
- Test material form:
- liquid
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 0 mg/L
- Conc. based on:
- not specified
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- not measured/tested
Any other information on results incl. tables
Water Sol from Kow (WSKOW v1.42) Results:
========================================
Water Sol: 1.984e-009 mg/L
SMILES : CC(CCCCCCCCCCOP(Oc1ccccc1)OCCCCCCCCCCC(C)C)C
CHEM : Diisotridecyl phenyl phosphite
MOL FOR: C32 H59 O3 P1
MOL WT : 522.80
---------------------------------- WSKOW v1.42 Results ------------------------
Log Kow (estimated) : 13.36
Log Kow (experimental): not available from database
Log Kow used by Water solubility estimates: 13.36
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) : -14.421
Water Solubility at 25 deg C (mg/L): 1.984e-009
Applicant's summary and conclusion
- Conclusions:
- Using the WSKOW v1.42 model in EPISUITE 4.1, the water solubility was calculated to be 1.984e-009 mg/L at 25 degrees C.
- Executive summary:
Using the WSKOW v1.42 model in EPISUITE 4.1, the water solubility was calculated to be 1.984e-009 mg/L at 25 degrees C.
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