Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Secondary literature

Data source

Reference
Reference Type:
publication
Title:
Improved Method for Estimating Water Solubility from Octanol/Water Partition Coefficient
Author:
Meylan, WM & Howard, PH
Year:
1996
Bibliographic source:
Syracuse Research Corporation, Merrill Lane, Syracuse, New York 13210, USA
Report date:
1995

Materials and methods

Principles of method if other than guideline:
Log Pow was estimated using two computer programs, SRC's program LOGKOW© and CLOGP (TM).
GLP compliance:
no
Type of method:
other: Estimated
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
3-chlorophenyl isocyanate
EC Number:
220-822-5
EC Name:
3-chlorophenyl isocyanate
Cas Number:
2909-38-8
Molecular formula:
C7H4ClNO
IUPAC Name:
1-chloro-3-isocyanatobenzene
Details on test material:
Purity not specified.

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.24

Any other information on results incl. tables

Temperature and pH value not reported.

Applicant's summary and conclusion