Registration Dossier

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 conduct this study on the test material as it is hydrolytically unstable. Modelled data are being provided.

Data source

Reference
Reference Type:
other: Modelling results
Title:
EPISUITE Modelling of Tris 2-Propylheptyl Phosphite
Author:
U.S. EPA
Bibliographic source:
U.S. EPA EPISUITE Model
Report Date:
2019

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
modelled results
GLP compliance:
no
Type of method:
other: modelled results

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
impurity
Type:
impurity
Type:
impurity
Test material form:
liquid
Details on test material:
Tri(2-propylheptyl)phosphite (Lankromark LE737) Batch 3309/166

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
Remarks:
Not possible to measure the water solubility of this substance as it is hydrolytically unstable.
Details on results:
Water Sol from Kow (WSKOW v1.42) Results:
========================================
Water Sol: 2.109e-008 mg/L
SMILES : CCCCCC(COP(OCC(CCC)CCCCC)OCC(CCC)CCCCC)CCC
CHEM : Tris 2-propylheptyl phosphite
MOL FOR: C30 H63 O3 P1
MOL WT : 502.81
---------------------------------- WSKOW v1.42 Results ------------------------
Log Kow (estimated) : 12.31
Log Kow (experimental): not available from database
Log Kow used by Water solubility estimates: 12.31
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) : -13.377
Water Solubility at 25 deg C (mg/L): 2.109e-008

Applicant's summary and conclusion

Conclusions:
Based on the EPISUITE model, the water solubility was estimated to be 2.109e-008 mg/L at 25 C.
Executive summary:

Based on the EPISUITE model, the water solubility was estimated to be 2.109e-008 mg/L at 25 C.