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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1988
Report Date:
1988

Materials and methods

Test guideline
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
Methyl formate, purity 95.6 % (GC)

Study design

Analytical method:
gas chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-0.21
Temp.:
25 °C

Any other information on results incl. tables

1st determination

20.8798 g n-octanol (water saturated)

0.0837 g methyl formate

25.1437 g dist. water (octanol saturated)

   1st determination  2nd determination  3rd determination  mean  St.dev.
 concentration methyl formate in the n-octanol phase (g/l)  1.181  1.179  1.179  1.180  0.001
 concentration methyl formate in the water phase (g/l)  2.038  2.169  2.222  2.143  0.095

Pow = c(n-octanol) / c(water) = 1.180 g/l / 2.143 g/l = 0.55

2nd determination

20.9240 g n-octanol (water saturated)

0.1446 g methyl formate

24.9851 g dist. water (octanol saturated)

   1st determination  2nd determination  3rd determination  mean  St.dev
 concentration methyl formate in the n-octanol phase (g/l)  2.100  2.106  2.100  2.102  0.003
 concentration methyl formate in the water phase (g/l)  3.506  3.166  3.312  3.328  0.171

Pow = c(n-octanol) / c(water) = 2.102 g/l / 3.328 g/l = 0.63

3rd determination

20.9096 g n-octanol (water saturated)

0.2381 methyl formate

25.0792 g dist. water (octanol saturated)

   1st determination  2nd determination  3rd determination  mean  St.dev
 concentration methyl formate in the n-octanol phase (g/l)  3.548  3.528  3.574  3.550  0.023
 concentration methyl formate in the water phase (g/l)  5.267  5.183  5.166  5.205  0.055

Pow = c(n-octanol) / c(water) = 3.550 g/l / 5.205 g/l = 068

Result

   Pow  log Pow
 1st determination  0.55  -0.26
 2nd determination  0.63  -0.20
 3rd determination  0.68  -0.17
 mean  0.62  -0.21
 standard deviation  0.07  

Applicant's summary and conclusion