Registration Dossier

Environmental fate & pathways

Phototransformation in air

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model.
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
Calculation based on AOPWIN v1.92, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Estimation method (if used):
AOP Program (v1.92) Results:
===========================
SMILES : C=C(C(F)(F)F)F
CHEM :
MOL FOR: C3 H2 F4
MOL WT : 114.04
------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------
Hydrogen Abstraction = 0.0000 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 0.0000 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 8.2034 E-12 cm3/molecule-sec
Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 8.2034 E-12 cm3/molecule-sec
HALF-LIFE = 1.956 Days (24-hr day; 0.5E6 OH/cm3)
HALF-LIFE = 46.938 Hrs
------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------
OVERALL OZONE Rate Constant = 0.070000 E-17 cm3/molecule-sec
HALF-LIFE = 16.371 Days (at 7E11 mol/cm3)
Experimental Database: NO Structure Matches
Fraction sorbed to airborne particulates (phi):
2.91E-010 (Junge-Pankow, Mackay avg)
4.65E-011 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Details on test conditions:
Calculation
DT50:
46 h
Test condition:
calculation based on a 24 h day

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables". The estimation is based on a 24 hour day.

Description of key information

The half-life of 2,3,3,3-Tetrafluoropropene is 46 hours.

Key value for chemical safety assessment

Additional information

Experimental results on phototransformation of 2,3,3,3-Tetrafluoropropene are not available. Calculated values of the substance using AOPWIN v1.92 indicate that the substance will be photodegraded by reaction with hydroxyl radicals (EPI Suite v4.11). A half-life of 46 hours (24-hr day; 0.5E6 OH/cm3) was obtained for the reaction in air.