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CAS Number: 141517-21-7
SMILES : c2(C(F)(F)F)cc(ccc2)C(=NOCc1c(cccc1)C(C(=O)OC)=NOC)C
CHEM : Trifloxystrobin
MOL FOR: C20 H19 F3 N2 O4
MOL WT : 408.38
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 6.62
Log Kow (Exper. database match) = 4.50
Exper. Ref: TOMLIN,C (2003)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 432.82 (Adapted Stein & Brown method)
Melting Pt (deg C): 158.46 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.62E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 7.49E-006 (Modified Grain method)
Subcooled liquid VP: 1.31E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000174 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.39
log Kow used: 4.50 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00016327 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.07E-007 atm-m3/mole (1.09E-002 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 7.743E-008 atm-m3/mole (7.846E-003 Pa-m3/mole)
VP: 5.62E-008 mm Hg (source: MPBPVP)
WS: 0.39 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.50 (exp database)
Log Kaw used: -5.359 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.859
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2069
Biowin2 (Non-Linear Model) : 0.0124
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.9240 (months )
Biowin4 (Primary Survey Model) : 3.2131 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0956
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0016
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.000175 Pa (1.31E-006 mm Hg)
Log Koa (Koawin est ): 9.859
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0172
Octanol/air (Koa) model: 0.00177
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.383
Mackay model : 0.579
Octanol/air (Koa) model: 0.124
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 7.0400 E-12 cm3/molecule-sec
Half-Life = 1.519 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 18.232 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.481 (Junge-Pankow, Mackay avg)
0.124 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.04E+006 L/kg (MCI method)
Log Koc: 6.483 (MCI method)
Koc : 2231 L/kg (Kow method)
Log Koc: 3.349 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.838E-004 L/mol-sec
Kb Half-Life at pH 8: 77.391 years
Kb Half-Life at pH 7: 773.912 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.636 (BCF = 432.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3520 days (HL = 2.249 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.861 (BCF = 726.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.865 (BAF = 732.7)
log Kow used: 4.50 (expkow database)
Volatilization from Water:
Henry LC: 1.07E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.106E+004 hours (460.8 days)
Half-Life from Model Lake : 1.208E+005 hours (5034 days)
Removal In Wastewater Treatment:
Total removal: 56.03 percent
Total biodegradation: 0.52 percent
Total sludge adsorption: 55.51 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.112 36.5 1000
Water 1.4 1.44e+003 1000
Soil 37.2 2.88e+003 1000
Sediment 61.3 1.3e+004 0
Persistence Time: 5.33e+003 hr