N-tert-butylacrylamide

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:

1.45

Temp.:

25 °C

pH:

5.3

Remarks on result:

other: test chemical is hydrophilic nature

Details on results:

The Partition coefficient (Pow) of the test chemical was determined to be 1.450 ± 0.000 at 25°C.

Reference substance	Log Pow	Rt1	Rt2	Rt3	Mean Rt ± S.D.	k	Log k
Formamide	NA	0.977	0.922	0.922	0.94±0.032	0	0
Butanone	0.3	1.502	1.5	NA	1.501±0.001	0.5968	-0.2242
4-Acetylpyridine	0.5	1.076	1.077	NA	1.0765±0.001	0.1448	-0.8391
Acetanilide	1	1.081	1.082	NA	1.0815±0.001	0.1501	-0.8236
Benzylalcohol	1.1	1.129	1.127	NA	1.128±0.001	0.1996	-0.6998
4-Methoxyphenol	1.3	1.108	1.107	NA	1.1075±0.001	0.1778	-0.7501
Phenoxyaceticacid	1.4	0.884	0.883	NA	0.8835±0.001	-0.0604	-1.2187
Phenol	1.5	1.15	1.149	NA	1.1495±0.001	0.2224	-0.6529
4-Methylbenzyl alcohol	1.6	1.103	1.101	NA	1.102±0.001	0.1719	-0.7647
Acetophenone	1.7	1.354	1.353	NA	1.3535±0.001	0.4394	-0.3571
2-Nitrophenol	1.8	1.366	1.369	NA	1.3675±0.002	0.4543	-0.3427
Nitrobenzene	1.9	1.454	1.458	NA	1.456±0.003	0.5484	-0.2609
Cinnamylalcohol	1.9	1.219	1.221	NA	1.22±0.001	0.2974	-0.5267
Benzene	2.1	1.771	1.775	NA	1.773±0.003	0.886	-0.0526
Methylbenzoate	2.1	1.552	1.553	NA	1.5525±0.001	0.651	-0.1864
CinnamicAcid	2.1	1.018	1.015	NA	1.0165±0.002	0.081	-1.0915
Toluene	2.7	2.103	2.104	NA	2.1035±0.001	1.237	0.0924
2,6-Dichlorobenzonitrile	2.6	1.709	1.705	NA	1.707±0.003	0.8153	-0.0887
Chlorobenzene	2.8	2.024	2.03	NA	2.027±0.004	1.155	0.0626
2,3-Dichloroaniline	2.8	1.619	1.629	NA	1.624±0.007	0.7271	-0.1384
Allylphenylether	2.9	1.982	1.987	NA	1.9845±0.004	1.1104	0.0455
Bromobenzene	3	2.144	2.151	NA	2.1475±0.005	1.2838	0.1085
Benzophenone	3.2	1.974	1.979	NA	1.9765±0.004	1.1019	0.0421
Ethylbenzene	3.2	2.519	2.527	NA	2.523±0.006	1.6831	0.2261
1,4-Dichlorobenzene	3.4	2.57	2.572	NA	2.571±0.001	1.734	0.239
Diphenylamine	3.4	2.113	2.112	NA	2.1125±0.001	1.2466	0.0957
Naphthalene	3.6	2.388	2.393	NA	2.3905±0.004	1.5422	0.1881
Biphenyl	4	2.822	2.841	NA	2.8315±0.013	2.011	0.3034
BenzylBenzoate	4	2.465	2.471	NA	2.468±0.004	1.6246	0.2107
1,2,4-Trichlorobenzene	4.2	3.502	3.492	NA	3.497±0.007	2.719	0.4344
Dodecanoicacid	4.2	3.001	2.845	NA	2.923±0.110	2.1085	0.324
Diphenylether	4.2	2.706	2.728	NA	2.717±0.016	1.889	0.2762
n-Butylbenzene	4.6	4.454	4.463	NA	4.4585±0.006	3.741	0.573
DDT	6.5	8.425	8.427	NA	8.426±0.001	7.96	0.9009

 

 

 

 

Test substance		K	Log k	Log Pow by Generalized Calibration Graph	Mean of Log Pow ± S.D.
Rt1	1.142	0.214	-0.669	1.450	1.450 ± 0.000
Rt2	1.142	0.214	-0.669	1.450

 

Conclusions:

The partition coefficient (n-octanol/water) of test substance was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 1.450 dimensionless at 25°C.This value indicates that the substance is hydrophilic in nature.

Executive summary:

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 5.3. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances wereButanone, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4-Dichlorobenzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Dodecanoic acid,Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5.The Log Pow value was determined to be1.450dimensionless at 25°C. This value indicates that the substance is hydrophilic in nature.

Description of key information

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 5.3. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances wereButanone, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4-Dichlorobenzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Dodecanoic acid,Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5.The Log Pow value was determined to be1.450dimensionless at 25°C. This value indicates that the substance is hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):

1.45

at the temperature of:

25 °C

Additional information

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 5.3. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances wereButanone, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4-Dichlorobenzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Dodecanoic acid,Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5.The Log Pow value was determined to be1.450dimensionless at 25°C. This value indicates that the substance is hydrophilic in nature.