2,2'-(naphthalene-1,4-diyl)bis(benzoxazole)

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

March from 21 to 22, 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

test procedure in accordance with generally accepted scientific standards and described in sufficient detail

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

adopted 13 April 2004

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

7.57

Temp.:

25 °C

Remarks on result:

other: extrapolated

Details on results:

The retention times of the test item resulted to be higher than the last eluting standard, therefore an accurate value of log Pow could not be given.
The log Pow was estimated to be higher than 6.5 and the extrapolated log Pow value was calculated as 7.57.

Measured and calculated data of test item

Test Item	Retention time (min)	log k	log Pow	Pow	Repeatability log unit
		Calculated
	31.18	1.281	7.58	3.79E+07	0.014
	31.17	1.281	7.58	3.79E+07
	31.00	1.279	7.57	3.70E+07
	30.98	1.278	7.57	3.69E+07
	30.97	1.278	7.57	3.68E+07
	30.95	1.278	7.57	3.67E+07
Mean	31.04	1.279	7.57	3.72E+07	-

Measured and calculated data of reference items

Chemical name	log PowOECD 117	Retention time (min)	log k Calculated	Repeatability Δlog Pow log unit	Accuracy log unit	log Powcalculated
Thiourea	-	1.55	—
		1.55
		1.55
		1.55
		1.55
		1.55
	Mean	1.55
	CV%	0
Methyl Benzoate	2.1	2.89	-0.063	0.01	0.1	2.2
		2.89	-0.063			2.2
		2.9	-0.060			2.2
		2.9	-0.060			2.2
		2.89	-0.063			2.2
		2.89	-0.063			2.2
	Mean	2.89	-0.062			2.2
	CV%	0.18	-			-
Benzophenone	3.2	3.78	0.158	0.01	0.12	3.1
		3.78	0.158			3.1
		3.79	0.16			3.1
		3.79	0.16			3.1
		3.78	0.158			3.1
		3.78	0.158			3.1
	Mean	3.78	0.159			3.1
	CV%	0.14	-			-
Diphenylamine	3.4	4.03	0.204	0.01	0.14	3.3
		4.03	0.204			3.3
		4.03	0.204			3.3
		4.03	0.204			3.3
		4.02	0.202			3.3
		4.02	0.202			3.3
	Mean	4.03	0.204			3.3
	CV%	0.13	-			-
Naphthalene	3.6	4.53	0.284	0.01	0.02	3.6
		4.53	0.284			3.6
		4.53	0.284			3.6
		4.53	0.284			3.6
		4.52	0.282			3.6
		4.52	0.282			3.6
	Mean	4.53	0.283			3.6
	CV%	0.11	-			-
Phenanthrene	4.5	7.09	0.553	0.01	0.16	4.7
		7.09	0.553			4.7
		7.09	0.553			4.7
		7.08	0.552			4.7
		7.07	0.552			4.7
		7.07	0.552			4.7
	Mean	7.08	0.553			4.7
	CV%	0.14	-			-
Triphenylamine	5.7	12.66	0.855	0.01	0.17	5.9
		12.66	0.855			5.9
		12.64	0.855			5.9
		12.64	0.855			5.9
		12.62	0.854			5.9
		12.62	0.854			5.9
	Mean	12.64	0.855			5.9
	CV%	0.14	-			-
DDT	6.5	16.22	0.976	0.01	0.15	6.4
		16.22	0.976			6.4
		16.18	0.975			6.4
		16.18	0.975			6.4
		16.17	0.975			6.3
		16.17	0.975			6.3
	Mean	16.19	0.975			6.4
	CV%	0.15	-			-

Conclusions:

log Pow: 7.57 at 25 °C (extrapolated)

Executive summary:

The partition coefficient of the substance was determined using high performance liquid chromatography, according to the OECD guideline 117.

The retention times of the test item resulted to be higher than the last eluting standard, therefore an accurate value of log Pow could not be given.

The log Pow was estimated to be higher than 6.5 and the extrapolated log Pow value was calculated as 7.57.

Conclusion

log Pow: 7.57 at 25 °C (extrapolated)

Description of key information

log Pow: 7.57 at 25 °C (extrapolated)

Key value for chemical safety assessment

Log Kow (Log Pow):

7.57

at the temperature of:

25 °C

Additional information

OECD 117 - HPLC method