Registration Dossier

Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The calculation was using the scientific authoritative software program as recommended in Guideline

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
SciFinder – Predicted Property Values
Bibliographic source:
REGISTRY (Copyright (C)2012 ACS) cited in SciFinder Database; online query 05.01.2012
Report date:
2012

Materials and methods

Principles of method if other than guideline:
calculated using ACD/Labs software V11.02 ( ©1994-2012 ACD/Labs) cited in SciFinder database
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Substance type: organic
- Physical state: solid

Results and discussion

Dissociating properties:
yes
Dissociation constant
No.:
#1
pKa:
8
Temp.:
25 °C
Remarks on result:
other: ±0.40, most Acidic

Applicant's summary and conclusion