Registration Dossier

Administrative data

Endpoint:
vapour pressure
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:
publication
Title:
Benzaldehyde, 3-(trifluoromethyl)-
Author:
EPI Suite v4.11
Year:
2018
Bibliographic source:
US EPA. [2012 or insert current year]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 or insert version used]. United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Calculation method
GLP compliance:
no
Type of method:
other: Calculation method

Test material

Constituent 1
Chemical structure
Reference substance name:
α,α,α-trifluoro-3-tolualdehyde
EC Number:
207-228-1
EC Name:
α,α,α-trifluoro-3-tolualdehyde
Cas Number:
454-89-7
Molecular formula:
C8H5F3O
IUPAC Name:
3-(trifluoromethyl)benzaldehyde
Test material form:
liquid
Details on test material:
SMILES: O=Cc(cccc1C(F)(F)F)c1

Results and discussion

Vapour pressure
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
90.3 Pa
Remarks on result:
not measured/tested
Remarks:
calculated (Antoine & Grain methods)

Applicant's summary and conclusion