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Administrative data

Endpoint:
adsorption / desorption
Remarks:
other: estimated by calculation
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study

Data source

Reference
Reference Type:
other: Body responsible for the test
Title:
Unnamed

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Calculation
Media:
soil

Test material

Constituent 1
Chemical structure
Reference substance name:
A mixture of: bis(1S,2S,4S)-(1-benzyl-4-tert-butoxycarboxamido-2-hydroxy-5-phenyl)pentylammonium succinate; isopropyl alcohol
EC Number:
414-810-0
EC Name:
A mixture of: bis(1S,2S,4S)-(1-benzyl-4-tert-butoxycarboxamido-2-hydroxy-5-phenyl)pentylammonium succinate; isopropyl alcohol
Cas Number:
144163-85-9
Molecular formula:
Empirical formula: C25H35N2O5
IUPAC Name:
butanedioic acid; propan-2-ol; bis(tert-butyl N-[(4R)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate)

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Value:
0.68
Remarks on result:
other: Kenaga/Goring correlation (1980)
Type:
log Koc
Value:
1.68
Remarks on result:
other: Hodson/Williams correlation (1988)
Type:
log Koc
Value:
4.86
Remarks on result:
other: Computer calculation 'Estimation of the soil adsorption coefficient Koc, version 1.21, Syracuse Research Corporation

Applicant's summary and conclusion

Conclusions:
The adsorption coefficient of A-88820.605 was estimated by calculation using 3 different methods:

a) Kenaga/Goring correlation (1980) 0.544 Log Pow + 1.377 = Log Koc = 1.63 b) Hodson/Williams correlation (1988) 0.827 Log Pow + 0.292 = Log Koc = 0.68 c) Computer calculation 'Estimation of the soil adsorption coefficient Koc, version 1.21, Syracuse Research Corporation gives Log Koc = 4.86 For the computer program, the value is for the free amine not the salt