Registration Dossier

Administrative data

Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method

Data source

Referenceopen allclose all

Reference Type:
other company data
Title:
Unnamed
Year:
2009
Report Date:
2009
Reference Type:
secondary source
Title:
1-Chloro-2-nitrobenzene CAS: 88-73-3, SIDS Initial Assessment Report
Author:
OECD
Year:
2001
Bibliographic source:
UNEP publications

Materials and methods

Principles of method if other than guideline:
HENRYWIN v.3.10, 2000, Group and Bond-Method
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Analytical purity: not applicable
SMILES : N(=0) (=0) c(c(ccc1)CL)c1
CHEM : Benzene, 1-chloro-2-nitro-
MOL FOR: C6 H4 CL1 N1 O2
MOL WT : 157.56

Results and discussion

Any other information on results incl. tables

BondEst : 1.58E-005 atm m3/mole (1.6 Pa m³/mole)

GroupEst: 3.79E-005 atm m3/mole (3.8 Pa m³/mole)

OECD SIDS (2001):

The Henry constant calculated by the SIDS' authors is 1.43 Pa m³ mol-1 which is arround the magnitude of the Lanxess' calculations.

Applicant's summary and conclusion