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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
other distribution data
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
1995

Materials and methods

Principles of method if other than guideline:
Method: other: PIWIN, Estimation Program, Syracuse Research Corporation, Syracuse, NY 13210
Type of study:
volatility
Media:
water - air

Test material

Constituent 1
Chemical structure
Reference substance name:
α,α,α-trifluoro-3-tolyl isocyanate
EC Number:
206-341-3
EC Name:
α,α,α-trifluoro-3-tolyl isocyanate
Cas Number:
329-01-1
Molecular formula:
C8H4F3NO
IUPAC Name:
1-isocyanato-3-(trifluoromethyl)benzene
Constituent 2
Reference substance name:
alpha,alpha,alpha-trifluoro-3-tolyl isocyanate
IUPAC Name:
alpha,alpha,alpha-trifluoro-3-tolyl isocyanate

Results and discussion

Any other information on results incl. tables

Calculation of Henry coefficient 
Bond Estimation method
Henry coefficient (25 deg. C) : 2.02E,03 atm-m3/mol
                                8.27E,02 without unit

Applicant's summary and conclusion