7-Bromo-1-heptene

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental test result performed using standard test guidelines

Qualifier:

according to guideline

Guideline:

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

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

3.692

Temp.:

25

Remarks on result:

other: other details are not specified

RESULT

Table 1:

 

Reference substances	tR1	tR2	Mean tR ± SD	k	log k	Log Pow
Formamide	0.943	0.942	0.943±0.001	NA	NA	NA
Acetanilide	1.108	1.108	1.108±0.000	0.176	-0.755	0.9
Acetophenone	1.379	1.380	1.380±0.001	0.464	-0.334	1.8
Toluene	2.617	2.598	2.608±0.013	1.767	0.247	3.2
1-Naphthol	1.618	1.615	1.617±0.002	0.715	-0.146	2.3
Ethylbenzene	3.338	3.334	3.336±0.003	2.540	0.405	3.5
Butylbenzene	6.813	6.759	6.786±0.038	6.200	0.792	4.4

 

Table 1- The above table indicates, six reference substances were taken to prepare the calibration graph. Individual reference substances were allowed to pass through the column on fixed operating conditions in order to obtain the values of t_R and SD.  These values were then used to determine K which was then converted to log K value.

 

Table 2:

Test chemical		k	Log k	Log Pow	Mean of Log Pow ± S.D
tR1	3.791	3.022	0.480	3.696	3.692±0.005
tR2	3.769	2.999	0.477	3.688

 

This table represents the mean log P_ow and SD of the test chemical. The value was calculated same as above given in table number 1

Conclusions:

The Log Pow value was determined using Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 and was determined to be 3.692 at 25 deg c.

Executive summary:

The Partition Coefficient n-octanol/water (Pow) of  was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.

The analysis was performed at constant recommended conditions such as temperature 25°C, mobile phase ratio of Acetonitrile: water 75:25 with flow rate of 1 mL/min at 210 nm. Generalized reference substances were selected from OECD guideline. Selected reference substances and test chemical were prepared in acetonitrile with a concentration of 400 mg/L. Both were analyzed on HPLC considering the similar conditions.

After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log P_ow value.

The reference substances were Acetanilide, Acetophenone, Toluene, 1-Naphthol, Ethylbenzene, and Butylbenzene having P_ow value ranging from 0.9 to 4.4

The Log P_ow value was determined to be 3.692±0.005. at 25°C.

 

Description of key information

The Log Pow value was determined using Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 and was determined to be 3.692 at 25 deg c.

Key value for chemical safety assessment

Log Kow (Log Pow):

3.692

at the temperature of:

25 °C

Additional information

The Partition Coefficient n-octanol/water (Pow) of  was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.

The analysis was performed at constant recommended conditions such as temperature 25°C, mobile phase ratio of Acetonitrile: water 75:25 with flow rate of 1 mL/min at 210 nm. Generalized reference substances were selected from OECD guideline. Selected reference substances and test chemical were prepared in acetonitrile with a concentration of 400 mg/L. Both were analyzed on HPLC considering the similar conditions.

After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log P_ow value.

The reference substances were Acetanilide, Acetophenone, Toluene, 1-Naphthol, Ethylbenzene, and Butylbenzene having P_ow value ranging from 0.9 to 4.4

The Log P_ow value was determined to be 3.692±0.005. at 25°C.