Registration Dossier

Administrative data

Endpoint:
phototransformation in air
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method; but since the substance is a tertiary amine the estimation is highly uncertain.

Data source

Referenceopen allclose all

Reference Type:
other: EPIWIN calculation
Title:
Unnamed
Year:
2015
Report date:
2015
Reference Type:
other: Estimation software
Title:
Estimation Programs Interface Suite for Microsoft Windows, v4.11
Author:
US-EPA
Year:
2012
Bibliographic source:
United States Environmental Protection Agency, Washington, DC, USA

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation using AOPWIN v1.92
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
(diethylamino)acetonitrile
EC Number:
221-130-6
EC Name:
(diethylamino)acetonitrile
Cas Number:
3010-02-4
Molecular formula:
C6H12N2
IUPAC Name:
2-(diethylamino)acetonitrile
Details on test material:
- Name of test material (as cited in study report): Acetonitrile, (diethylamino)-

Study design

Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 500000
- Degradation rate constant: 19.3573E-12 cm³/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: SRC AOP v1.92
- Calculated t 1/2 is based on a 24 h day

Results and discussion

Dissipation half-life of parent compound
DT50:
19.892 h
Test condition:
half-life calculated for the following conditions: sensitizer for indirect photolysis: OH; 0.5 E06 OH/cm³, 24h day; as the substance is a tertiary amine, the estimate is highly uncertain.

Any other information on results incl. tables

Estimate refers to the uncharged molecule.

Hydrogen Abstraction      = 19.3573 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 =  0.0000 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 = 19.3573 E-12 cm3/molecule-sec

HALF-LIFE =    0.829 Days (24 -hr day; 0.5E6 OH/cm3)

HALF-LIFE =    19.892 Hrs

Applicant's summary and conclusion