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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
other: EPI Suite Calculation
Title:
Unnamed
Year:
2008

Materials and methods

Principles of method if other than guideline:
EPI Suite Calculation v 3.20
KOWWIN Program v 1.67
GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): phosphonic acid, dimethyl ester

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-1.13

Any other information on results incl. tables

no data on temperature and pH (calculation method)

TYPE

NUM

LOGKOW FRAGMENT DESCRIPTION

COEFF

VALUE

Frag

2

-CH3 [aliphaticcarbon]

0.5473

1.0946

Frag

2

-O-P [aliphaticattach]

-0.0162

-0.0324

Frag

1

O=P

-2.4239

-2.4239

Const

 

EquationConstant

 

0.2290

Log Kow    =    -1.1327

 

Applicant's summary and conclusion

Executive summary:

The octanol-water partition coefficient of dimethyl phosphonate was calculated with EPI Suite (v3.20):

logPow = -1.13 (Currenta, 2008).