N-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl]-2,6-difluorobenzamide

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

27 Nov 1991 to 11 Feb 1992

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Version / remarks:

1989

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

5.12

Temp.:

25 °C

Remarks on result:

other: no pH has been reported

Table 1. Reference solution

Reference substance	Purity	LogP	Weight	Retention time in minutes Run 1	Run 2	Run 3
Formamide	> 99.0%		1040 ng	1.94	1.94	1.94
Phenyl benzoate	> 98%	3.6	106 ng	9.65	9.67	9.66
Benzyl benzoate	> 98%	4	115 ng	11.1	11.12	11.11
1,2,4-Trichlorobenzene	> 98 %	4.2	121 ng	15.5	15.51	15.51
Phenanthrene	> 98 %	4.5	107 ng	17.29	17.28	17.27
Triphenylamine	> 99 %	5.7	116 ng	35.32	35.23	35.23
DDT	> 99%	6.2	118 ng	51.72	51.7	51.68

Table 2. Test solution

Reference substance	Purity	Log K	Weight	Retention time in minutes
Test substance	0.995	1.075	124 ng	24.99
		1.076		25.05
		1.074		24.92
		1.074		24.93
		1.074		24.94
		1.074		24.94

The values of LogP for the reference substances are those quoted in the OECD guideline No. 117.

For each of the three injections of the reference solution, a plot of log k verses log P was performed using least squares linear regression. Writing the general equation for a straight line thus y = ( b . x ) + a

 We have for the three injections the following values:

           y-Intercept, a    Gradient, b      Correlation coefficient

1         -0.50652           0.308517          0.993569

2         -0.50331           0.307861          0.993589

3         -0.50422           0.308003          0.99355

From six determinations of the octanol / water partition coefficient for the test substance the following values were determined:

Log Pow = 5.13 ( ± 0.14 )

Log Pow = 5.13 ( ± 0.14 )

Log Pow = 5.12 ( ± 0.14 )

Log Pow = 5.12 ( ± 0.14 )

Log Pow = 5.12 ( ± 0.14 )

Log Pow = 5.12 ( ± 0.14 )

These may be averaged to give a Final result of:

Log Pow = 5.12 ( ± 0.14 )

The figure in parentheses represents one standard deviation of the linear least squares fit.

Conclusions:

At 25 °C the partition coefficient (n-octanol / water) of the test substance was found to be 5.12 ± 0.14.

Executive summary:

The octanol-water partition coefficient (Log Pow) of the test substance was determined using the HPLC method according to OECD TG 117 following GLP principles. At 25 °C the partition coefficient (n-octanol / water) of the test substance was found to be 5.12 ± 0.14.

Description of key information

Log Kow = 5.12 ± 0.14 at 25 °C, OECD TG 117, HPLC method, Rodler 1992

Key value for chemical safety assessment

Log Kow (Log Pow):

5.12

at the temperature of:

25 °C