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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Well accepted model result. It is not possible to test TPP for octanol-water coefficient due to its rapid hydrolysis.

Data source

Reference
Reference Type:
other: Model Results
Title:
Unnamed
Year:
2010
Report Date:
2010

Materials and methods

Principles of method if other than guideline:
Model results using KOWWIN v 1.67.
GLP compliance:
no
Type of method:
other: Model
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
6.62
Temp.:
25 °C
Remarks on result:
other: calculation

Any other information on results incl. tables

Log Kow(version 1.67 estimate): 6.62

 

SMILES : O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3

CHEM  : triphenyl phosphite

MOL FOR: C18 H15 O3 P1

MOL WT : 310.29

-------+-----+--------------------------------------------+---------+--------

 TYPE | NUM |       LOGKOW FRAGMENT DESCRIPTION        | COEFF | VALUE

-------+-----+--------------------------------------------+---------+--------

 Frag |       18 |        Aromatic Carbon                                               | 0.2940 | 5.2920

 Frag |        3  | -O-P   [aromatic attach]                                            | 0.5345 | 1.6035

 Frag |        1   | >P- [phosphine type]                                                |-0.5000 | -0.5000

 Const |           | Equation Constant                                                    |               | 0.2290

-------+-----+--------------------------------------------+---------+--------

                                                        Log Kow  =  6.6245

Applicant's summary and conclusion

Conclusions:
The estimated log Kow for TPP is 6.62 using KOWWIN (v. 1.67). It is not possible to test TPP for this endpoint due to its rapid hydrolysis.
Executive summary:

The estimated log Kow for TPP is 6.62 using KOWWIN (v. 1.67). It is not possible to test TPP for this endpoint due to its rapid hydrolysis.